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NSC 23766 trihydrochloride

CAT: 0931-T6342-01Size: 2 mgDry Ice: NoHazardous: No
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CAT#:0931-T6342-01Size:2 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1177865-17-6
Target
Apoptosis, Ras, Rho
Related Pathways
Apoptosis, Cell Cycle/Checkpoint, GPCR/G Protein, MAPK
Purity
0.9975
Bioactivity
NSC 23766 trihydrochloride (Rac1 Inhibitor) is an inhibitor of Rac GTPase targeting Rac activation by GEFs (IC50: ~50 μM) ; no inhibitory for the closely related targets, RhoA or Cdc42.
Smiles
Cl.Cl.Cl.CCN(CC)CCCC(C)Nc1nc(C)cc(Nc2ccc3nc(C)cc(N)c3c2)n1
Molecular Formula
C24H35N7·3HCl
Molecular Weight
530.96
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

NSC 23766 trihydrochloride

NSC 23766 trihydrochloride is a hydrochloride resulting from the formal reaction of NSC 23766 with 3 mol eq. of hydrogen chloride. An inhibitor of the signalling G-protein known as RAC1 (Ras-related C3 botulinum toxin substrate 1). It has a role as an EC 3.6.5.2 (small monomeric GTPase) inhibitor, an antiviral agent, a muscarinic antagonist and an apoptosis inducer. It contains a NSC 23766.

CAS Number1177865-17-6
PubChem CID16759159
IUPAC Name6-N-[2-[5-(diethylamino)pentan-2-ylamino]-6-methylpyrimidin-4-yl]-2-methylquinoline-4,6-diamine;trihydrochloride
Molecular FormulaC24H38Cl3N7
Molecular Weight531.0
Topological Polar Surface Area92
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count7
Rotatable Bond Count10
Heavy Atom Count34
Formal Charge0
Complexity514
SMILES
CCN(CC)CCCC(C)NC1=NC(=CC(=N1)NC2=CC3=C(C=C(N=C3C=C2)C)N)C.Cl.Cl.Cl
InChI
InChI=1S/C24H35N7.3ClH/c1-6-31(7-2)12-8-9-16(3)27-24-28-18(5)14-23(30-24)29-19-10-11-22-20(15-19)21(25)13-17(4)26-22;;;/h10-11,13-16H,6-9,12H2,1-5H3,(H2,25,26)(H2,27,28,29,30);3*1H
InChIKey
CPUHORIUXPQCHW-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of NSC 23766 trihydrochloride
CAS: 1177865-17-6
CID: 16759159
Formula: C24H38Cl3N7
MW: 531.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight531.0
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count7
Rotatable Bond Count10
Exact Mass529.225427
Monoisotopic Mass529.225427
Topological Polar Surface Area92 Ų
Heavy Atom Count34
Formal Charge0
Complexity514
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count4
Compound Is CanonicalizedYes

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M10603-01NSC 23766 trihydrochloride
HY-15723A-01NSC 23766 (trihydrochloride)
HY-15723AR-01NSC 23766 (trihydrochloride) (Standard)
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