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TW-37

CAT: 0127-BUP05404-05Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0127-BUP05404-05Size:25 mg
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CAS Number
877877-35-5
Synonyms
TW 37
Purity
=95%
Smiles
CC(C)c1ccccc1Cc1cc(C(=O)Nc2ccc(cc2)S(=O)(=O)c2ccccc2C(C)(C)C)c(O)c(O)c1O

Chemical Information

TW-37

TW-37 is a secondary carboxamide resulting from the formal condensation of the carboxy group of 2,3,4-trihydroxy-5-[2-(propan-2-yl)benzyl]benzoic acid with the amino group of 4-[(2-tert-butylphenyl)sulfonyl]aniline. It is a potent inhibitor of Bcl-2 family of proteins (Ki = 260, 290 and 1110 nM for Mcl-1, Bcl-2 and Bcl-xL). It has a role as a radiosensitizing agent, a B-cell lymphoma 2 inhibitor, an antineoplastic agent, an angiogenesis inhibitor and an apoptosis inducer. It is a secondary carboxamide, a member of benzamides, a benzenetriol and a sulfone.

CAS Number877877-35-5
PubChem CID11455910
IUPAC NameN-[4-(2-tert-butylphenyl)sulfonylphenyl]-2,3,4-trihydroxy-5-[(2-propan-2-ylphenyl)methyl]benzamide
Molecular FormulaC33H35NO6S
Molecular Weight573.7
XLogP7.8
Topological Polar Surface Area132
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count8
Heavy Atom Count41
Formal Charge0
Complexity963
SMILES
CC(C)C1=CC=CC=C1CC2=CC(=C(C(=C2O)O)O)C(=O)NC3=CC=C(C=C3)S(=O)(=O)C4=CC=CC=C4C(C)(C)C
InChI
InChI=1S/C33H35NO6S/c1-20(2)25-11-7-6-10-21(25)18-22-19-26(30(36)31(37)29(22)35)32(38)34-23-14-16-24(17-15-23)41(39,40)28-13-9-8-12-27(28)33(3,4)5/h6-17,19-20,35-37H,18H2,1-5H3,(H,34,38)
InChIKey
PQAPVTKIEGUPRN-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of TW-37
CAS: 877877-35-5
CID: 11455910
Formula: C33H35NO6S
MW: 573.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight573.7
XLogP37.8
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count8
Exact Mass573.21850901
Monoisotopic Mass573.21850901
Topological Polar Surface Area132 Ų
Heavy Atom Count41
Formal Charge0
Complexity963
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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CatalogName
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256983-01TW 37

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