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NSC23766 trihydrochloride

CAT: 0607-A1952-25Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0607-A1952-25Size:25 mg
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Description
Selective inhibitor of Rac1-GEF interaction.
CAS Number
1177865-17-6
Product Name Alternative
6-N-[2-[5-(diethylamino)pentan-2-ylamino]-6-methylpyrimidin-4-yl]-2-methylquinoline-4,6-diamine
Field of Research
MAPK Signaling Rac Cell Cycle Checkpoint Rho
Purity
0.9821
Form
A solid
Solubility
≥26.55 mg/mL in DMSO; ≥15.33 mg/mL in H2O; ≥3.52 mg/mL in EtOH with gentle warming and ultrasonic
Smiles
CCN(CC)CCCC(C)NC1=NC(=CC(=N1)NC2=CC3=C(C=C2)N=C(C=C3N)C)C
Molecular Formula
C24H35N7·3HCl
Molecular Weight
530.96
Shipping Conditions
Blue ice
Storage Conditions
Store at -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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