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Vevorisertib trihydrochloride

CAT: 0013-GTR19189666-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19189666-01Size:1 mg
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Description
Vevorisertib trihydrochloride is a potent, selective pan-AKT inhibitor that also targets the AKT1-E17K mutant. It is used in research for advanced solid tumors and hepatocellular carcinoma, with studies demonstrating its activity in both in vitro and in vivo experimental models.
CAS Number
1416775-08-0
Product Name Alternative
ARQ751 Trihydrochloride, ARQ-751 Trihydrochloride, ARQ751, ARQ-751, ARQ 751, ARQ 751 trihydrochloride, Akt, P-Akt, Vevorisertib trihydrochloride, Vevorisertib
Field of Research
Signal Transduction
Purity
98.28% (May vary between batches)
Solubility
DMSO:100 mg/mL (143.65 mM) ;10% DMSO+40% PEG300+5% Tween 80+45% Saline:5 mg/mL (7.18 mM) ; H2O:20 mg/mL (28.73 mM)
Smiles
Cl.Cl.Cl.CN (C1CCN (CC1) c1cccc (c1) -c1ccc2nc (-c3cccnc3N) n (-c3ccc (cc3) C3 (N) CCC3) c2n1) C (C) =O
Molecular Formula
C35H41Cl3N8O
Molecular Weight
696.12
Storage Conditions
-20°C
Notes
For research use only.

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...
View on PubChemRaw 3D data
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

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