Y-27632 DIHYDROCHLORIDE
- Iupac Name：4-[(1R)-1-aminoethyl]-N-pyridin-4-ylcyclohexane-1-carboxamide
- CAS No.: 146986-50-7
- Molecular Weight：247.342
- Modify Date.: 2022-11-07 12:49
1. Names and Identifiers
- 1.1 Name
- Y-27632 DIHYDROCHLORIDE
- 1.2 Synonyms
(+)-R-TRANS-4-(AMINOETHYL)-N-(4-PYRIDYL)-CYCLOHEXANECARBOXAMIDE 2HCL H2O (R)-(+)-TRANS-4-(1-AMINOETHYL)-N-(4-PYRIDYL)CYCLOHEXANECARBOXAMIDE DIHYDROCHLORIDE (R)-(+)-TRANS-N-(4-PYRIDYL)-4-(1-AMINOETHYL)-CYCLOHEXANECARBOXAMIDE 2HCL 4-[(1R)-1-aminoethyl]-N-pyridin-4-ylcyclohexane-1-carboxamide Cyclohexanecarboxamide, 4-[(1R)-1-aminoethyl]-N-4-pyridinyl-, trans- Cyclohexanecarboxamide, 4-[(1R)-1-aminoethyl]-N-4-pyridinyl-, trans-, hydrochloride (1:2) trans-4-[(1R)-1-Aminoethyl]-N-(4-pyridinyl)cyclohexanecarboxamide trans-4-[(1R)-1-Aminoethyl]-N-(4-pyridinyl)cyclohexanecarboxamide dihydrochloride trans-4-[(1R)-1-Aminoethyl]-N-(pyridin-4-yl)cyclohexanecarboxamide dihydrochloride TRANS-4-[(1R)-1-AMINOETHYL]-N-4-PYRIDINYLCYCLOHEXANECARBOXAMIDE DIHYDROCHLORIDE Y-27632 Y-27632 (hydrochloride) Y-276322HCl
- 1.3 CAS No.
- 146986-50-7
- 1.4 CID
- 448042
- 1.5 EINECS(EC#)
- 1312995-182-4
- 1.6 Molecular Formula
- C14H21N3O (isomer)
- 1.7 Inchi
- InChI=1S/C14H21N3O/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)/t10-,11?,12?/m1/s1
- 1.8 InChkey
- IYOZTVGMEWJPKR-VOMCLLRMSA-N
- 1.9 Canonical Smiles
- CC(C1CCC(CC1)C(=O)NC2=CC=NC=C2)N
- 1.10 Isomers Smiles
- C[C@H](C1CCC(CC1)C(=O)NC2=CC=NC=C2)N
2. Properties
- 2.1 Density
- 1.136
- 2.1 Boiling point
- 462.6 oC at 760 mmHg
- 2.1 Refractive index
- 1.578
- 2.1 Flash Point
- 233.6 oC
- 2.1 Precise Quality
- 247.16800
- 2.1 PSA
- 68.01000
- 2.1 logP
- 2.94700
- 2.1 Solubility
- H2O: 14?mg/mL
- 2.2 Appearance
- whitesolid
- 2.3 Color/Form
- white
- 2.4 pKa
- 13.53±0.40(Predicted)
- 2.5 Water Solubility
- H2O: 14 mg/mL
- 2.6 StorageTemp
- Keep in dark place,Sealed in dry,2-8°C
3. Use and Manufacturing
- 3.1 Definition
- ChEBI: A monocarboxylic acid amide that is trans-[(1R)-1-aminoethyl]cyclohexanecarboxamide in which one of the nitrogens of the aminocarbony group is substituted by a pyridine nucleus. It has been shown to exhibit inhibitory actiity against Rho-associated protein kinase (ROCK) enzyme.
4. Safety and Handling
- 4.1 Hazard Codes
- Xn
- 4.1 Risk Statements
- 20/21/22
- 4.1 Safety Statements
- 36
- 4.1 WGK Germany
- 3
5. Other Information
- 5.0 Definition
- ChEBI: A monocarboxylic acid amide that is trans-[(1R)-1-aminoethyl]cyclohexanecarboxamide in which one of the nitrogens of the aminocarbony group is substituted by a pyridine nucleus. It has been shown to exhibit inhibitory acti ity against Rho-associated protein kinase (ROCK) enzyme.
- 5.1 Biological Activity
- Selective inhibitor of the Rho-associated protein kinase p160ROCK. K i values are 0.14, 26, 25 and >250 μ M for p160ROCK, PKC, cAMP-dependent protein kinase and myosin light-chain kinase respectively. Also inhibits the protein kinase C-related protein kinase, PRK2 (IC 50 = 600nM). Smooth muscle relaxant and orally active in vivo . Increases survival rate of human embryonic stem (hES) cells undergoing cryopreservation.
- 5.2 体外研究
-
Y-27632 inhibits the ROCK family of kinases 100 times more potently than other kinases including protein kinase C, cAMP-dependent kinase and myosin light chain kinase. Y-27632 prolongs the lag time and delays the appearance of BrdU-labeled cells in a concentration-dependent manner, delays of about 1 and 4 h are noticed in the Swiss 3T3 cells treated with 10 and 100 μM Y-27632, respectively. Y-27632 promotes neuronal differentiation of adipose tissue-derived stem cells (ADSCs). Compared to 1.0 and 2.5 μM Y-27632 induced groups, percentages of neuroal-like cells achieved a peak in the 5.0 μM Y-27632 induced group.
- 5.3 体内研究
-
Y-27632 (5 and 10 mg/kg) significantly prolongs the onset time of myoclonic jerks when compare with saline group. Y-27632 (5 and 10 mg/kg) significantly prolongs the onset time of clonic convulsions when compare with saline group. Treatment with Dimethylnitrosamine (DMN) causes a significant decrease in rat body and liver weight (DMN-S group) compared with control animals (S-S group). Oral Y27632 (30 mg/kg) essentially prevents this DMN-induced rat body and liver weight loss (DMN-Y group).
- 5.4 Biological Activity
- Selective inhibitor of the Rho-associated protein kinase p160ROCK. K i values are 0.14, 26, 25 and >250 μ M for p160ROCK, PKC, cAMP-dependent protein kinase and myosin light-chain kinase respectively. Also inhibits the protein kinase C-related protein kinase, PRK2 (IC 50 = 600nM). Smooth muscle relaxant and orally active in vivo . Increases survival rate of human embryonic stem (hES) cells undergoing cryopreservation.
6. Computational chemical data
- Molecular Weight: 247.342g/mol
- Molecular Formula: C14H21N3O
- Compound Is Canonicalized: True
- XLogP3-AA: 0.9
- Exact Mass: 247.168462302
- Monoisotopic Mass: 247.168462302
- Complexity: 268
- Rotatable Bond Count: 3
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Topological Polar Surface Area: 68
- Heavy Atom Count: 18
- Defined Atom Stereocenter Count: 1
- Undefined Atom Stereocenter Count: 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Isotope Atom Count: 0
- Covalently-Bonded Unit Count: 1
- CACTVS Substructure Key Fingerprint: AAADceBzIAAAAAAAAAAAAAAAAAAAAAAAAAA8QAAAAAAAAAABgAAAHgAQAAAADSjBkgQ+wJLIEACoADV3VACCgCAxAiAI2KE4ZJgIIHLA0dGEJAhglADIyAcYiMCOAAAAAAAAAACAAAAAAAAAAAAAAAAAAA==
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Y27632
- Purity:99%Packing: 200kg/bag FOB
- Price:
- Time: 2019/06/12
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