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Vevorisertib trihydrochloride

CAT: 1568-C01759-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:1568-C01759-01Size:5 mg
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CAS Number
1416775-08-0
Synonyms
ARQ 751 trihydrochloride
SKU
C01759-5mg
Target
Akt
Applications
PI3K/Akt/mTOR
Additionnal Information
Vevorisertib trihydrochloride (ARQ 751 trihydrochloride) is a selective, allosteric inhibitor of pan-AKT and AKT1-E17K mutant with Kd values of 1.2 nM and 8.6 nM, respectively. It also has IC50 values of 0.55, 0.81, and 1.3 nM for AKT1, AKT2, and AKT3, respectively and can be used for the research of cancer.

Chemical Information

Vevorisertib trihydrochloride
CAS Number1416775-08-0
PubChem CID131746460
IUPAC NameN-[1-[3-[3-[4-(1-aminocyclobutyl)phenyl]-2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-5-yl]phenyl]piperidin-4-yl]-N-methylacetamide;trihydrochloride
Molecular FormulaC35H41Cl3N8O
Molecular Weight696.1
Topological Polar Surface Area119
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count7
Rotatable Bond Count6
Heavy Atom Count47
Formal Charge0
Complexity976
SMILES
CC(=O)N(C)C1CCN(CC1)C2=CC=CC(=C2)C3=NC4=C(C=C3)N=C(N4C5=CC=C(C=C5)C6(CCC6)N)C7=C(N=CC=C7)N.Cl.Cl.Cl
InChI
InChI=1S/C35H38N8O.3ClH/c1-23(44)41(2)26-15-20-42(21-16-26)28-7-3-6-24(22-28)30-13-14-31-34(39-30)43(33(40-31)29-8-4-19-38-32(29)36)27-11-9-25(10-12-27)35(37)17-5-18-35;;;/h3-4,6-14,19,22,26H,5,15-18,20-21,37H2,1-2H3,(H2,36,38);3*1H
InChIKey
HNFNJTGXAZHZSB-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Vevorisertib trihydrochloride
CAS: 1416775-08-0
CID: 131746460
Formula: C35H41Cl3N8O
MW: 696.1
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight696.1
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count7
Rotatable Bond Count6
Exact Mass694.246891
Monoisotopic Mass694.246891
Topological Polar Surface Area119 Ų
Heavy Atom Count47
Formal Charge0
Complexity976
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count4
Compound Is CanonicalizedYes