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2018年5月2日星期三

Original:GDC-0853 1434048-34-6 , stock more than 100g

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Description: GDC-0853 is orally available inhibitor of Bruton's tyrosine kinase (BTK) with potential antineoplastic activity. Upon administration, GDC-0853 inhibits the activity of BTK and prevents the activation of the B-cell antigen receptor (BCR) signaling pathway. This prevents both B-cell activation and BTK-mediated activation of downstream survival pathways, which leads to the inhibition of the growth of malignant B-cells that overexpress BTK. BTK, a member of the Src-related BTK/Tec family of cytoplasmic tyrosine kinases, is overexpressed in B-cell malignancies; it plays an important role in B-lymphocyte development, activation, signaling, proliferation and survival.

Name: GDC-0853 
CAS#: 1434048-34-6 
Chemical Formula: C37H44N8O4 
Exact Mass: 664.3486 
Molecular Weight: 664.811 
Elemental Analysis: C, 66.85; H, 6.67; N, 16.86; O, 9.63

Synonym: GDC-0853; GDC 0853; GDC0853; RG-7845; RG7845; RG 7845.
IUPAC/Chemical Name: (S)-2-(3'-(hydroxymethyl)-1-methyl-5-((5-(2-methyl-4-(oxetan-3-yl)piperazin-1-yl)pyridin-2-yl)amino)-6-oxo-1,6-dihydro-[3,4'-bipyridin]-2'-yl)-7,7-dimethyl-3,4,7,8-tetrahydro-2H-cyclopenta[4,5]pyrrolo[1,2-a]pyrazin-1(6H)-one
InChi Key: WNEODWDFDXWOLU-QHCPKHFHSA-N
InChi Code: InChI=1S/C37H44N8O4/c1-23-18-42(27-21-49-22-27)9-10-43(23)26-5-6-33(39-17-26)40-30-13-25(19-41(4)35(30)47)28-7-8-38-34(29(28)20-46)45-12-11-44-31(36(45)48)14-24-15-37(2,3)16-32(24)44/h5-8,13-14,17,19,23,27,46H,9-12,15-16,18,20-22H2,1-4H3,(H,39,40)/t23-/m0/s1
SMILES Code: O=C1C(N2CCN1C3=NC=CC(C(C=C4NC5=NC=C(N6[C@@H](C)CN(C7COC7)CC6)C=C5)=CN(C)C4=O)=C3CO)=CC8=C2CC(C)(C)C8


Shipping Condition: Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.
Storage Condition: Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).
Solubility: Soluble in DMSO, not in water
Shelf Life: >2 years if stored properly
Drug Formulation: This drug may be formulated in DMSO
Stock Solution Storage: 0 - 4 C for short term (days to weeks), or -20 C for long term (months).
Harmonized System Code: 293490

ADDITIONAL INFORMATION
Note: Structure was from https://newdrugapprovals.org/2016/03/ ( visited on 4/7/2016)

REFERENCES
Heteroarylpyridone and azapyridone compounds as inhibitors of BTK activity and their preparation 
By Crawford, James John; Ortwine, Daniel Fred; Wei, Binqing; Young, Wendy B. 
From PCT Int. Appl. (2013), WO 2013067274 A1 20130510.