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Y-27632 dihydrochloride

CAT: 0607-A3008-200Size: 200 mgDry Ice: NoHazardous: No
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CAT#:0607-A3008-200Size:200 mg
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Description
ROCK1 inhibitor
CAS Number
129830-38-2
Product Name Alternative
4-[(1R)-1-aminoethyl]-N-pyridin-4-ylcyclohexane-1-carboxamide
Sequence
y-27632, Y27632, Y-27632 dihydrochloride, Y 27632
Field of Research
Cell Cycle Checkpoint ROCK TGF-β Smad Signaling ROCK
Purity
0.9954
Form
A solid
Solubility
≥111.2 mg/mL in DMSO; ≥17.57 mg/mL in EtOH; ≥52.9 mg/mL in H2O
Smiles
CC(C1CCC(CC1)C(=O)NC2=CC=NC=C2)N
Molecular Formula
C14H21N3O·2HCl
Molecular Weight
320.26
Shipping Conditions
Blue ice
Storage Conditions
Desiccate at 4°C or below.

Chemical Information

Y-27632 dihydrochloride

Y-27632 dihydrochloride is an organic molecular entity. It has a role as an EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor.

CAS Number129830-38-2
PubChem CID9901617
IUPAC Name4-[(1R)-1-aminoethyl]-N-pyridin-4-ylcyclohexane-1-carboxamide;dihydrochloride
Molecular FormulaC14H23Cl2N3O
Molecular Weight320.3
Topological Polar Surface Area68
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Heavy Atom Count20
Formal Charge0
Complexity268
SMILES
C[C@H](C1CCC(CC1)C(=O)NC2=CC=NC=C2)N.Cl.Cl
InChI
InChI=1S/C14H21N3O.2ClH/c1-10(15)11-2-4-12(5-3-11)14(18)17-13-6-8-16-9-7-13;;/h6-12H,2-5,15H2,1H3,(H,16,17,18);2*1H/t10-,11?,12?;;/m1../s1
InChIKey
IDDDVXIUIXWAGJ-DDSAHXNVSA-N
Chemical Structure
2D Structure
2D structure of Y-27632 dihydrochloride
CAS: 129830-38-2
CID: 9901617
Formula: C14H23Cl2N3O
MW: 320.3
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight320.3
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass319.1218178
Monoisotopic Mass319.1218178
Topological Polar Surface Area68 Ų
Heavy Atom Count20
Formal Charge0
Complexity268
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count3
Compound Is CanonicalizedYes