ABT-737 - Small Molecule (ID:10179-101)

HMS LINCS ID: 10179-101
Name: ABT-737
Alternative Names:
LINCS ID: LSM-1180
PubChem CID: 11228183
ChEBI ID:
ChEMBL ID:
Molecular Mass: 812.26
InChi: 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/h3-21,28,35,44H,22-27,29-30H2,1-2H3,(H,45,50)/t35-/m1/s1
InChi Key: HPLNQCPCUACXLM-PGUFJCEWSA-N
SMILES: CN(C)CC[C@H](CSC1=CC=CC=C1)NC2=C(C=C(C=C2)S(=O)(=O)NC(=O)C3=CC=C(C=C3)N4CCN(CC4)CC5=CC=CC=C5C6=CC=C(C=C6)Cl)[N+](=O)[O-]
Relevant Citations:
Comments:
Date Publicly Available:
Most Recent Update: 2016-04-04

Target Affinity:

(see Study 20000)
Target Affinity Spectrum Value HUGO Gene Name
1
(Kd <100 nM)
BAD, BCL2, BCL2L1, BCL2L10, BCL2L2, CSN2
3
(equivalent to 1µM ≤ Kd < 10 µM)
BCL2A1, Mcl1, MCL1

Batch Information for HMSL10179-101-1:

HMS LINCS Batch ID: 10179-101-1
Provider: Haoyuan chemexpress
Provider Batch ID: HM-130-20110616
Salt: 101
Molecular Formula: C42H45ClN6O5S2
Molecular Weight: 813.43
Purity:
Purification Method:
Chemical Synthesis Reference:
Comments:
Date Publicly Available: 2011-07-15
Most Recent Update: 2016-04-04

HMS QC Testing Events for HMSL10179-101-1:

Date HMS QC Outcome Comment Files
04/13/2015 PASS HMSL10179-101-1_LCMS.pdf
11/14/2011 PASS None