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Rhosin hydrochloride

CAT: 1568-C13841-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:1568-C13841-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1281870-42-5
Synonyms
G04 hydrochloride, Rhosin HCl
SKU
C13841-5mg
Target
Rho
Applications
Cell Cycle
Smiles
C1=CC=C2C (=C1) C (=CN2) CC (C (=O) NN=CC3=CC4=NC=CN=C4C=C3) N.Cl
Molecular Formula
C20H19ClN6O
Additionnal Information
Rhosin (G04) hydrochloride (HCl) is a potent, specific inhibitor of RhoA subfamily Rho GTPases with Kd of ~ 0.4 uM. Rhosin hydrochloride induces cell apoptosis.
Storage Conditions
3 years -20°C powder

Chemical Information

Rhosin hydrochloride
CAS Number1281870-42-5
PubChem CID52998412
IUPAC Name(2R)-2-amino-3-(1H-indol-3-yl)-N-[(E)-quinoxalin-6-ylmethylideneamino]propanamide;hydrochloride
Molecular FormulaC20H19ClN6O
Molecular Weight394.9
Topological Polar Surface Area109
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Heavy Atom Count28
Formal Charge0
Complexity541
SMILES
C1=CC=C2C(=C1)C(=CN2)C[C@H](C(=O)N/N=C/C3=CC4=NC=CN=C4C=C3)N.Cl
InChI
InChI=1S/C20H18N6O.ClH/c21-16(10-14-12-24-17-4-2-1-3-15(14)17)20(27)26-25-11-13-5-6-18-19(9-13)23-8-7-22-18;/h1-9,11-12,16,24H,10,21H2,(H,26,27);1H/b25-11+;/t16-;/m1./s1
InChIKey
SFRGBDFQSLZYLF-GRYLRVQNSA-N
Chemical Structure
2D Structure
2D structure of Rhosin hydrochloride
CAS: 1281870-42-5
CID: 52998412
Formula: C20H19ClN6O
MW: 394.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight394.9
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Exact Mass394.1308869
Monoisotopic Mass394.1308869
Topological Polar Surface Area109 Ų
Heavy Atom Count28
Formal Charge0
Complexity541
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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