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2017年3月23日星期四

EOS Med Chem , Supply Chain, 3#6#6868396


药名CAS名称结构式分子式
     Momelotinib
(CYT387)
是一种ATP竞争性JAK1/JAK2抑制剂,IC5011 nM/18 nM,比作用于JAK3选择性约高10倍左右。Phase 3
1056634-68-4
N-(cyanomethyl)-4-(2-((4-morpholinophenyl)amino)pyrimidin-4-yl)benzamide
Chemical Formula: C23H22N6O2
Exact Mass: 414.18
Molecular Weight: 414.47
          Firategrast
是口服生物相容性的α4β1/α4β7整合蛋白拮抗剂。
402567-16-2(S)-2-(2,6-difluorobenzamido)-3-(4'-(ethoxymethyl)-2',6'-dimethoxy-[1,1'-biphenyl]-4-yl)propanoic acid Chemical Formula: C27H27F2NO6
Exact Mass: 499.18
Molecular Weight: 499.51
      MK-2206
MK-2206
双盐酸盐是 Akt1/2/3的高选择性抑制剂,IC50分别为8 nM12 nM65 nM,并且对已测的250种蛋白酶无抑制性。
1032349-93-18-[4-(1-aminocyclobutyl)phenyl]-9-phenyl[1,2,4]triazolo[3,4-f]-1,6-naphthyridin-3-ol Chemical Formula: C25H21N5O
Exact Mass: 407.17
Molecular Weight: 407.48
    ARN-509
ARN-509
是竞争性雄激素受体抑制剂,IC5016 nM,可作用于前列腺癌
956104-40-84-(7-(6-cyano-5-(trifluoromethyl)pyridin-3-yl)-8-oxo-6-thioxo-5,7-diazaspiro[3.4]octan-5-yl)-2-fluoro-N-methylbenzamide Chemical Formula: C21H15F4N5O2S
Exact Mass: 477.09
Molecular Weight: 477.44
   JNJ-38877605
ATP竞争性c-Met抑制剂,IC504 nM,对c-Met的抑制性比对其它200种酪氨酸和丝氨酸-苏氨酸激酶的抑制性要强600倍。
943540-75-8
6-{Difluoro[6-(1-methyl-1H-pyrazol-4-yl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl}quinoline
         Cilomilast
(SB 207499; Ariflo)
PDE4抑制剂,IC50110 nM,有抗炎活性
153259-65-5
 4-cyano-4-(3-(cyclopentyloxy)-4-methoxyphenyl)cyclohexane-1-carboxylic acid
Chemical Formula: C20H25NO4
Exact Mass: 343.18
Molecular Weight: 343.42

             
RepSox
E-616452; SJN 2511)
TGFβR-1/ALK5抑制剂,对ATPALK5的结合及ALK5的自磷酸化的IC50分别为23 nM4 nM
446859-33-22-(3-(6-methylpyridin-2-yl)-1H-pyrazol-4-yl)-1,5-naphthyridine Chemical Formula: C17H13N5
Exact Mass: 287.12
Molecular Weight: 287.33
      SB-431542 
是有效的,选择性的ALK5抑制剂,IC5094 nM,也抑制Smad3磷酸化,IC5094 nM
301836-41-94-(4-(benzo[d][1,3]dioxol-5-yl)-5-(pyridin-2-yl)-1H-imidazol-2-yl)benzamide Chemical Formula: C22H16N4O3
Exact Mass: 384.12
Molecular Weight: 384.40
Broxaterol(β2-受体激动剂)
β
受体激动剂包括非选择性的β受体激动剂如异丙肾上腺素及选择性心脏β1受体激动剂如多巴酚丁胺,选择性β2受体激动剂如沙丁胺醇、叔丁、喘宁等。
76596-57-1
(1-(3-bromoisoxazol-5-yl)-2-(tert-butylamino)ethan-1-ol)
Chemical Formula: C9H15BrN2O2
Exact Mass: 262.03
Molecular Weight: 263.14
           福莫特罗
是一种长效的选择性肾上腺素
β2受体激动药,具有支气管扩张作用,且呈剂量依赖关系。能使第1秒用力呼气量(FEV1)、用力肺活量(FVC)和呼气峰流速(PER)增加
73573-87-2(R,R)-formoterol Chemical Formula: C19H24N2O4
Exact Mass: 344.17
Molecular Weight: 344.41
          haloprogin
一种外用抗真菌、抗念珠菌和抗细菌的广谱抗菌药
777-11-7
1,2,4-trichloro-5-((3-iodoprop-2-yn-1-yl)oxy)benzene
Chemical Formula: C9H4Cl3IO
Exact Mass: 359.84
Molecular Weight: 361.38
       SR 3677
SR-3677
ROCK-II抑制剂,IC503 nM,对ROCK-IIC5056 nM
1072959-67-1
N-(2-(2-(dimethylamino)ethoxy)-4-(1H-pyrazol-4-yl)phenyl)-2,3-dihydrobenzo[b][1,4]dioxine-2-carboxamide
Chemical Formula: C22H24N4O4
Exact Mass: 408.18
Molecular Weight: 408.46
        JK184
是一种有效的HedgehogHh)抑制剂,IC5030 nM
315703-52-7
N-(4-ethoxyphenyl)-4-(2-methylimidazo[1,2-a]pyridin-3-yl)thiazol-2-amine
Chemical Formula: C19H18N4OS
Exact Mass: 350.12
Molecular Weight: 350.44
     Thiazovivin (Tzv)
是新型的ROCK抑制剂,IC500.5 μM,能促进hESC的存活
1226056-71-8
N-Benzyl-2-(4-pyrimidinylamino)-1,3-thiazole-4-carboxamide
Chemical Formula: C15H13N5OS
Exact Mass: 311.08
Molecular Weight: 311.36
Picumeterol (吡库特罗)支气管扩张药
130641-36-0(R)-1-(4-amino-3,5-dichlorophenyl)-2-((6-(2-(pyridin-2-yl)ethoxy)hexyl)amino)ethan-1-ol Chemical Formula: C21H29Cl2N3O2
Exact Mass: 425.16
Molecular Weight: 426.38
Bay 41-4109 racemate
BAY 41-4109 racemate
是人乙型肝炎病毒HBV的有效抑制剂,IC50值为53 nM
298708-81-3methyl (R)-4-(2-chloro-4-fluorophenyl)-2-(3,5-difluoropyridin-2-yl)-6-methyl-1,4-dihydropyrimidine-5-carboxylate Chemical Formula: C18H13ClF3N3O2
Exact Mass: 395.06
Molecular Weight: 395.77
        Y-27632
Y-27632
双盐酸盐是ROCK1p160ROCK)抑制剂,Ki140 nM,比对PKCcAMP-依赖的蛋白激酶,MLCKPAK的抑制性高超过200倍。
146986-50-7(1R,4r)-4-((R)-1-aminoethyl)-N-(pyridin-4-yl)cyclohexane-1-carboxamide Chemical Formula: C14H21N3O
Exact Mass: 247.17
Molecular Weight: 247.34
    BMS-754807
BMS-754807
是可逆的IGF-1R/InsR抑制剂,IC50分别为1.8 nM/1.7 nM,对MetAurora A/BTrkA/BRon的抑制性较弱,对Flt3LckMK2PKAPKC几乎无活性。
1001350-96-4(S)-1-(4-((5-cyclopropyl-1H-pyrazol-3-yl)amino)pyrrolo[2,1-f][1,2,4]triazin-2-yl)-N-(6-fluoropyridin-3-yl)-2-methylpyrrolidine-2-carboxamide Chemical Formula: C23H24FN9O
Exact Mass: 461.21
Molecular Weight: 461.51
    CHIR-99021
CHIR-99021 (CT99021)
GSK-3αβ抑制剂,IC50分别为10 nM6.7 nM,比对CDC2ERK2及其他激酶的抑制性强500倍。
252917-06-96-((2-((4-(2,4-dichlorophenyl)-5-(4-methyl-1H-imidazol-2-yl)pyrimidin-2-yl)amino)ethyl)amino)nicotinonitrile Chemical Formula: C22H18Cl2N8
Exact Mass: 464.10
Molecular Weight: 465.34
           A939572
A939572
是口服生物相容性的SCD1抑制剂,对mSCD1hSCD1IC50分别为<4 nM37 nM

1032229-33-6
4-(2-chlorophenoxy)-N-(3-(methylcarbamoyl)phenyl)piperidine-1-carboxamide Chemical Formula: C20H22ClN3O3
Exact Mass: 387.13
Molecular Weight: 387.86
     GSK429286A
GSK429286A
ROCK1ROCK2的选择性抑制剂,IC50分别为14 nM63 nM
864082-47-3N-(6-fluoro-1H-indazol-5-yl)-2-methyl-6-oxo-4-(4-(trifluoromethyl)phenyl)-1,4,5,6-tetrahydropyridine-3-carboxamide Chemical Formula: C21H16F4N4O2
Exact Mass: 432.12
Molecular Weight: 432.38
            BI-D1870
ATP竞争性S6核糖体抑制剂,对RSK1/2/3/4IC50分别为31 nM/24 nM/18 nM/15 nM,比对MST2GSK-3βMARK3CK1 Aurora B的抑制性高10100倍。
501437-28-12-((3,5-difluoro-4-hydroxyphenyl)amino)-8-isopentyl-5,7-dimethyl-7,8-dihydropteridin-6(5H)-one Chemical Formula: C19H23F2N5O2
Exact Mass: 391.18
Molecular Weight: 391.42
    LDN193189
LDN193189(DM 3189)
BMP信号转导抑制剂,对ALK2ALK3IC50分别为5 nM30 nM,比对TGF-β的抑制性高200倍。

1062368-24-4
4-(6-(4-(piperazin-1-yl)phenyl)pyrazolo[1,5-a]pyrimidin-3-yl)quinoline Chemical Formula: C25H22N6
Exact Mass: 406.19
Molecular Weight: 406.49
      GSK1059615
GSK1059615
是可逆的PI3Kα/β/δ/γmTOR双重抑制剂,IC500.4 nM/0.6 nM/2 nM/5 nM12 nM
958852-01-2(Z)-5-((4-(pyridin-4-yl)quinolin-6-yl)methylene)thiazolidine-2,4-dione Chemical Formula: C18H11N3O2S
Exact Mass: 333.06
Molecular Weight: 333.37
Robotnikinin1132653-79-2N-(4-chlorobenzyl)-2-((2R,6S,E)-5,12-dioxo-2-phenyl-1-oxa-4-azacyclododec-8-en-6-yl)acetamide Chemical Formula: C25H27ClN2O4
Exact Mass: 454.17
Molecular Weight: 454.95
HesperadinHesperadinATP竞争性Aurora B抑制剂,IC50250 Nm422513-13-1N-[(3Z)-2-Oxo-3-(phenyl{[4-(1-piperidinylmethyl)phenyl]amino}methylen)-2,3-dihydro-1H-indol-5-yl]ethansulfonamid
1455087-30-5 Chemical Formula: C23H21N3O6
Exact Mass: 435.14
Molecular Weight: 435.44
497172-36-83-(1-cyano-4-hydroxy-7-(4methoxyphenoxy)isoquinoline-3-carboxamido)-3-methylbutanoic acid Chemical Formula: C35H27N3O2
Exact Mass: 521.21
Molecular Weight: 521.62
176672-06-32,6-bis((4S,5R)-4,5-diphenyl-4,5-dihydrooxazol-2-yl)pyridine Chemical Formula: C16H13BrO2S
Exact Mass: 347.98
Molecular Weight: 349.24
3-Bromo-6-methoxy-2-(4-methoxyphenyl)-1-benzothiophene Chemical Formula: C21H27NO5
Exact Mass: 373.19
Molecular Weight: 373.45
methyl (R)-2-amino-3-(4'-(ethoxymethyl)-2',6'-dimethoxy-[1,1'-biphenyl]-4-yl)propanoate Chemical Formula: C26H23Cl4N3O5
Exact Mass: 597.04
Molecular Weight: 599.29
(S)-2-(4-(3-aminopropoxy)-2,6-dichlorobenzamido)-3-(4-(2,6-dichlorobenzamido)phenyl)propanoic acid Chemical Formula: C31H42N4O6S
Exact Mass: 598.28
Molecular Weight: 598.76
tert-butyl ((S)-1-(((S)-1-cyclohexyl-2-((S)-2-(4-(3-hydroxybenzoyl)thiazol-2-yl)pyrrolidin-1-yl)-2-oxoethyl)amino)-1-oxopropan-2-yl)(methyl)carbamate Chemical Formula: C22H24N6O
Exact Mass: 388.20
Molecular Weight: 388.48
152013-26-8N-methyl-2-(4-methyl-1,4-diazepan-1-yl)benzo[4,5]imidazo[1,2-a][1,8]naphthyridine-6-carboxamide Chemical Formula: C14H20ClN3O3
Exact Mass: 313.12
Molecular Weight: 313.78
105331-00-8 4,6-Diamino-1-(β-D-ribofuranosyl)-1,3,5-triazin-2(1H)-one Chemical Formula: C8H13N5O5
Exact Mass: 259.09
Molecular Weight: 259.22
6-(4-(1,3-difluoropropan-2-yl)-4H-1,2,4-triazol-3-yl)pyridin-2-amine Chemical Formula: C10H11F2N5
Exact Mass: 239.10
Molecular Weight: 239.23
13-(1-(3-(2-((2-(((9H-fluoren-9-yl)methoxy)carbonyl)-1,2- dimethylhydrazinyl)methyl)-1H-indol-1-yl)propanoyl)piperidin-4-yl)-2,2-dimethyl-4,14- dioxo-3,7,10-trioxa-13-azaheptadecan-17-oic acid (Fmoc-HIPS-PAPip(PEG2(CO2t- Bu))CO2H) Chemical Formula: C59H65N5O10
Exact Mass: 1003.47
Molecular Weight: 1004.19
2-(4-(2-(((1R,2S)-1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl)amino)ethyl)phenoxy)acetic acid Chemical Formula: C19H23NO5
Exact Mass: 345.16
Molecular Weight: 345.40
2-(4-(4,9-diethoxy-1-oxo-1,3-dihydro-2H-benzo[f]isoindol-2-yl)-2-fluorophenyl)acetic acid Chemical Formula: C24H22FNO5
Exact Mass: 423.15
Molecular Weight: 423.44
ethyl 3-(2-aminothiazolo[5,4-b]pyridin-5-yl)benzoate Chemical Formula: C15H13N3O2S
Exact Mass: 299.07
Molecular Weight: 299.35
methyl 3-(3-nitrophenoxy)propanoate Chemical Formula: C10H11NO5
Exact Mass: 225.06
Molecular Weight: 225.20
2-hydroxy-N-(3-methoxy-4-nitrophenethyl)acetamide Chemical Formula: C11H14N2O5
Exact Mass: 254.09
Molecular Weight: 254.24
1225584-97-33-((4-(1-ethyl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-yl)amino)benzenesulfonamide Chemical Formula: C19H18N6O2S
Exact Mass: 394.12
Molecular Weight: 394.45
115935-89-2(3R,4R)-3-benzyloxycarbonylamino-4-hydroxymethyl-2-oxoazetidine-1-sulphonic acid tetrabutylammonium salt Chemical Formula: C28H49N3O7S-
Exact Mass: 571.33
Molecular Weight: 571.77
5-benzyl -4-methyl (3aR,4S,6aR)-2,2-dimethylhexahydro-5H-furo[2,3-c]pyrrole-4,5-dicarboxylate Chemical Formula: C18H23NO5
Exact Mass: 333.16
Molecular Weight: 333.38
N-(4,5-dimethoxy-2-nitrobenzyl)-N-(4-hydroxy-3-methoxybenzyl)nonanamide Chemical Formula: C26H36N2O7
Exact Mass: 488.25
Molecular Weight: 488.58
N-(4-((1H-imidazol-2-yl)carbamoyl)-1H-benzo[d]imidazol-2-yl)isoquinoline-3-carboxamide Chemical Formula: C21H15N7O2
Exact Mass: 397.13
Molecular Weight: 397.40
64544-01-07-bromo-6-chloro-3-(3-(3-hydroxypiperidin-2-yl)-2-oxopropyl)quinazolin-4(3H)-one
(halofuginone)
Chemical Formula: C16H17BrClN3O3
Exact Mass: 413.01
Molecular Weight: 414.68
1204317-86-12-amino-N-(2-((4E,7E,10E,13E,16E,19E)-docosa-4,7,10,13,16,19-hexaenamido)ethyl)benzamide Chemical Formula: C31H43N3O2
Exact Mass: 489.34
Molecular Weight: 489.70
1052709-68-8(S)-3-amino-N-(4-(3-aminopiperidin-1-yl)pyridin-3-yl)-6-(2-fluorophenyl)picolinamide Chemical Formula: C22H23FN6O
Exact Mass: 406.19
Molecular Weight: 406.47
(S)-3-amino-N-(4-(3-aminopiperidin-1-yl)pyridin-3-yl)-6-(5-(dimethylcarbamoyl)-2-fluorophenyl)picolinamide Chemical Formula: C25H28FN7O2
Exact Mass: 477.23
Molecular Weight: 477.54
1224936-48-41-(2,6-dimethylmorpholino)-3-(3-fluorophenoxy)propan-2-ol Chemical Formula: C15H22FNO3
Exact Mass: 283.16
Molecular Weight: 283.34
1228216-68-91-(4-((4-methoxybenzoyl)oxy)phenethyl)-2-(4-(trifluoromethyl)benzamido)-1H-benzo[d]imidazole-5-carboxylic acid Chemical Formula: C32H24F3N3O6
Exact Mass: 603.16
Molecular Weight: 603.55
1263101-80-95-(3,3-dimethyl-but-1-ynyl)-3-(1,4-dioxa-spiro[4.5]dec-8-ylamino)-thiophene-2-carboxylic acid methyl ester Chemical Formula: C20H27NO5
Exact Mass: 361.19
Molecular Weight: 361.44
582316-00-53-({N-[(Benzyloxy)Carbonyl]-L-Valyl}Amino)-5-Fluoro-4-Oxopentanoic Acid Chemical Formula: C18H22FNO7
Exact Mass: 383.14
Molecular Weight: 383.37
1228445-38-2
N-(Cyclopropylmethyl)-4-{[4-(6-hydroxy-3,4-dihydro-1(2H)-quinolinyl)-2-pyrimidinyl]amino}benzenesulfonamide
Chemical Formula: C23H25N5O3S
Exact Mass: 451.17
Molecular Weight: 451.55
1449425-49-35-(4-cyanobenzyl)-7-hydroxypyrazolo[1,5-a]pyrimidine-3-carboxylic acid Chemical Formula: C15H10N4O3
Exact Mass: 294.08
Molecular Weight: 294.27
1225586-11-7N-(4-methyl-3-(morpholinosulfonyl)phenyl)-4-(1-propyl-1H-pyrrolo[2,3-c]pyridin-3-yl)pyrimidin-2-amine Chemical Formula: C25H28N6O3S
Exact Mass: 492.19
Molecular Weight: 492.60
134098-68-33-(2'-acetoxy-4',6'-dimethylphenyl)-3,3-dimethylpropanoic acid Chemical Formula: C15H20O4
Exact Mass: 264.14
Molecular Weight: 264.32
239066-73-0
5-allyl-10-methoxy-2,2,4-trimethyl-2,5-dihydro-1H-chromeno[3,4-f]quinoline
Chemical Formula: C23H25NO2
Exact Mass: 347.19
Molecular Weight: 347.46
136529-69-61-acetoxy-4-(1-chloro-2-methylamino-ethyl)-benzene Chemical Formula: C11H14ClNO2
Exact Mass: 227.07
Molecular Weight: 227.69
1-(4-hydroxyphenethyl) 5-methyl (S)-3-(2-methoxy-2-oxoacetamido)pentanedioate Chemical Formula: C17H21NO8
Exact Mass: 367.13
Molecular Weight: 367.35
1070892-92-04-chloro-5-(4-cyano-6-trifluoromethyl-pyridin-3-yl)-2-methoxy-benzoic acid Chemical Formula: C16H9ClF3NO3
Exact Mass: 355.02
Molecular Weight: 355.70
1032350-06-3[1-(4-bromophenyl)cyclobutyl]carbamic acid tert-butyl ester Chemical Formula: C15H20BrNO2
Exact Mass: 325.07
Molecular Weight: 326.23
5-((furan-2-ylmethyl)amino)-3-(4-methylpiperazin-1-yl)-6H-anthra[1,9-cd]isoxazol-6-one Chemical Formula: C24H22N4O3
Exact Mass: 414.17
Molecular Weight: 414.47
871726-72-6tert-butyl (Z)-4-((dimethylamino)methylene)-3-oxopiperidine-1-carboxylate Chemical Formula: C13H22N2O3
Exact Mass: 254.16
Molecular Weight: 254.33
(S)-3,9-dimethoxy-5,8,13,13a-tetrahydro-6H-isoquinolino[3,2-a]isoquinoline-2,10-diyl diacetate Chemical Formula: C23H25NO6
Exact Mass: 411.17
Molecular Weight: 411.45
tert-butyl 4-(2-chloro-4-fluorophenyl)-6-methyl-2-(thiazol-2-yl)-1,4-dihydropyrimidine-5-carboxylate Chemical Formula: C19H19ClFN3O2S
Exact Mass: 407.09
Molecular Weight: 407.89
892242-64-74-((3-(4-cyclohexylpiperazin-1-yl)-6-oxo-6H-anthra[1,9-cd]isoxazol-5-yl)amino)benzoic acid Chemical Formula: C31H30N4O4
Exact Mass: 522.23
Molecular Weight: 522.61
(E)-5-(4-((3-chloro-4-fluorophenyl)imino)-3-methyl-3,4-dihydroquinazolin-6-yl)pyrimidin-2-amine Chemical Formula: C19H14ClFN6
Exact Mass: 380.10
Molecular Weight: 380.81
N-(3-(5-chloro-2-((3-(piperazin-1-yl)phenyl)amino)pyrimidin-4-yl)phenyl)acrylamide Chemical Formula: C23H23ClN6O
Exact Mass: 434.16
Molecular Weight: 434.93
N-(3-(5-chloro-2-((3-(4-ethylpiperazin-1-yl)phenyl)amino)pyrimidin-4-yl)-5-methylphenyl)acrylamide Chemical Formula: C26H29ClN6O
Exact Mass: 476.21
Molecular Weight: 477.01
4-(3-mesitylisoxazol-5-yl)benzenesulfonamide Chemical Formula: C18H18N2O3S
Exact Mass: 342.10
Molecular Weight: 342.41
1-(3-(4-(furan-2-carbonyl)piperazin-1-yl)propyl)-4,9-dioxo-4,9-dihydro-1H-naphtho[2,3-d][1,2,3]triazole 2-oxide Chemical Formula: C22H21N5O5
Exact Mass: 435.15
Molecular Weight: 435.44
(E)-5-(4-((3-chloro-4-fluorophenyl)imino)-3-methyl-3,4-dihydroquinazolin-6-yl)pyrimidin-2-amine Chemical Formula: C19H14ClFN6
Exact Mass: 380.10
Molecular Weight: 380.81
(E)-5-(3-methyl-4-((3-(trifluoromethyl)phenyl)imino)-3,4-dihydroquinazolin-6-yl)pyrimidin-2-amine Chemical Formula: C20H15F3N6
Exact Mass: 396.13
Molecular Weight: 396.38
1003602-79-6 2-((2-fluoro-5-methoxyphenyl)amino)-4-((2-(N-methylmethylsulfonamido)phenyl)amino)pyrimidine-5-carboxamide Chemical Formula: C20H21FN6O4S
Exact Mass: 460.13
Molecular Weight: 460.48
1391054-73-1(6-hydroxy-2-(4-hydroxyphenyl)benzo[b]thiophen-7-yl)(4-(2-(piperidin-1-yl)ethoxy)phenyl)methanone Chemical Formula: C28H27NO4S
Exact Mass: 473.17
Molecular Weight: 473.59
    MK-2206
MK-2206
双盐酸盐是 Akt1/2/3的高选择性抑制剂,IC50分别为8 nM12 nM65 nM,并且对已测的250种蛋白酶无抑制性。
1032350-13-2MK-2206 dihydrochloride
956907-27-06-[(6-Bromo-1H-[1,2,3]triazolo[4,5-b]pyrazin-1-yl)methyl]-7-fluoroquinoline