MedKoo Cat#: 200444 Name: ABT-737 CAS#: 852808-04-9 Chemical Formula: C42H45ClN6O5S2 Exact Mass: 812.25814 Molecular Weight: 813.43 Elemental Analysis: C, 62.02; H, 5.58; Cl, 4.36; N, 10.33; O, 9.83; S, 7.88

Synonym: ABT 737; ABT-737; ABT737.

IUPAC/Chemical Name: (R)-4-(4-((4-chloro-[1,1-biphenyl]-2-yl)methyl)piperazin-1-yl)-N-((4-((4-(dimethylamino)-1-(phenylthio)butan-2-yl)amino)-3-nitrophenyl)sulfonyl)benzamide

InChi Key: HPLNQCPCUACXLM-PGUFJCEWSA-N

InChi Code: InChI=1S/C42H45ClN6O5S2/c1-46(2)23-22-35(30-55-37-9-4-3-5-10-37)44-40-21-20-38(28-41(40)49(51)52)56(53,54)45-42(50)32-14-18-36(19-15-32)48-26-24-47(25-27-48)29-33-8-6-7-11-39(33)31-12-16-34(43)17-13-31/h4-21,28,35,44H,22-27,29-30H2,1-2H3,(H,45,50)/t35-/m1/s1

SMILES Code: O=C(NS(=O)(C1=CC=C(N[C@H](CCN(C)C)CSC2=CC=CC=C2)C([N+]([O-])=O)=C1)=O)C3=CC=C(N4CCN(CC5=CC=CC=C5C6=CC=C(Cl)C=C6)CC4)C=C3

Technical Data

Appearance: Solid powder

Purity: >98% (or refer to the Certificate of Analysis)

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

References