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A66

A66 structure

CAS No:
1166227-08-2
Formula:
C17H23N5O2S2
Chemical Name:
A66
Synonyms:
CCT128930;(2S)-N1-[2-(tert-Butyl)-4'-methyl[4,5'-bithiazol]-2'-yl]-1,2-pyrrolidinedicarboxamide;(2S)-N1-(5-(2-tert-butylthiazol-4-yl)-4-methylthiazol-2-yl)pyrrolidine-1,2-dicarboxamide;(2S)-N1-[2-(tert-Butyl)-4'-methyl[4,5'-bithiazol]-2'-yl]-1,2-pyrrolidinedicarboxamide A 66
Categories:
Biochemical Engineering > Inhibitors

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Description

(2S)-N1-[5-(2-tert-butyl-4-thiazolyl)-4-methyl-2-thiazolyl]pyrrolidine-1,2-dicarboxamide is a proline derivative.

A66 Basic Attributes

Molecular Weight：

393.53

Exact Mass：

393.129

EC Number：

-0

DSSTox ID：

DTXSID80655299

HScode：

29341000

Characteristics

PSA：

158

XLogP3：

2.8

Density：

1.354

A66 Use and Manufacturing

This potent and highly selective p110α inhibitor (FW = 393.53; CAS 1166227-08-2; Solubility: 79 mg/mL DMSO, 1 mg/mL H2O), also known as (2S)-N1-(5-(2-tert-butylthiazol-4-yl)-4-methylthiazol-2-yl)pyrrolidine-1, 2-dicarboxamide, has a IC50 value of 32 nM for the wild-type phosphoinositide-3 kinase p110 α as well as oncogenic forms of p110α such as p110α E545K (IC50 = 43 nM) and p110α H1047R (IC50 = 43 nM). A66 inhibition also demonstrated that cancer-specific mutations in the iSH2 (inter-SH2) and

Computed Properties

Molecular Weight:393.5
XLogP3:2.8
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:4
Exact Mass:393.12931734
Monoisotopic Mass:393.12931734
Topological Polar Surface Area:158
Heavy Atom Count:26
Complexity:556
Defined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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A66

CAS No.: 1166227-08-2

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