Basic information
- CAS
913844-45-8- Standard SMILES
Cc1cncc2cccc(S(=O)(=O)N3CCCN(C(=O)CN)C[C@@H]3C)c12.Cl.Cl- InChIKey
ILDBNQGLZFSHQZ-UTLKBRERSA-N- Molecular formula
- C18H26Cl2N4O3S
- Average molar mass
- 449.4 g/mol
- Monoisotopic mass
- 448.1102673
Names & identifiers
- Preferred name
- Glycyl-H 1152 dihydrochloride
- IUPAC
- 2-amino-1-[(3S)-3-methyl-4-(4-methylisoquinolin-5-yl)sulfonyl-1,4-diazepan-1-yl]ethanone;dihydrochloride
- English name
- H-1152Glycyl, Dihydrochloride
- Molecular formula
- C18H26Cl2N4O3S
- Molecular weight
- 0
Names & synonyms
913844-45-8Glycyl-H 1152 dihydrochlorideH-1152 Glycyl DihydrochlorideGlycyl H-1152 (hydrochloride)(S)-(+)-4-Glycyl-2-methyl-1-[(4-met hyl-5-isoquinolinyl)sulfonyl]-hexahydro-1H-1,4-dia zepine dihydrochloride(S)-2-Amino-1-(3-methyl-4-((4-methylisoquinolin-5-yl)sulfonyl)-1,4-diazepan-1-yl)ethanone dihydrochlorideGlycyl H-1152 hydrochlorideH-1152Glycyl, Dihydrochloride(S)-Glycyl H-1152 (hydrochloride)Glycyl H-1152 HClorb1694576SCHEMBL1811640
Show more names
Glycyl-H 1152 2HClRho Kinase Inhibitor IV(S)-Glycyl-H-1152 (hydrochloride)Glycyl H1152 hydrochloride,Glycyl H 1152 hydrochloride(S)-(+)-4-Glycyl-2-methyl-1-[(4-methyl-5-isoquinolinyl) sulfonyl]-hexahydro-1H-1,4-diazepine dihydrochloride(2S)-4-(Aminoacetyl)hexahydro -2-methyl-1-[(4-methyl-5-isoquinolinyl)sulfonyl]-1H-1,4-diazepine Dihydrochloride2-Amino-1-[(3S)-hexahydro-3-methyl-4-[(4-methyl-5-isoquinolinyl)sulfonyl]-1H-1,4-diazepin-1-yl]ethanone Hydrochloride
Properties
Computed structural properties
- Topological polar surface area
- 105 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 606
Physicochemical properties
- Melting point
- 190 · 190-192°C
- storage temp.
- Refrigerator
- solubility
- Methanol (Slightly), Water (Slightly)
- form
- Solid
- color
- Pale Yellow to Beige
- Water Solubility
- 1 mg/mLDMSO: · water: 1mg/mLDMSO: 5mg/mL
- Stability
- Hygroscopic
- CAS DataBase Reference
- 913844 · 913844-45-8
- UNSPSC Code
- 12352200 · 12352200
- Symbol(GHS)
- 2 · GHS02,GHS08
- Signal word
- Danger
- Hazard statements
- 225 · H225-H370
- Precautionary statements
- 210 · P210-P233-P240-P241-P242-P243-P260-P264-P270-P280-P303+P361+P353-P307+P311-P321-P370+P378-P403+P235-P405-P501
- WGK Germany
- 1 · WGK 1
- Storage Class
- 11 · 11 - Combustible Solids
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- wgk
- WGK 1
- Signal word
- Danger
- Symbol(GHS)
- GHS02,GHS08
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H225-H370
- Precautionary statements
- P210-P233-P240-P241-P242-P243-P260-P264-P270-P280-P303+P361+P353-P307+P311-P321-P370+P378-P403+P235-P405-P501
Chemistry & industry
Applications
UsesA glycyl analog of Rho-kinase (ROCK) inhibitor that inhibits ROCK with an improved selectitity; for treatment of hypertension and arteriosclerosis.
Suppliers20 total
武汉英诺医药科技有限公司+86-027-59232304 15387063101 · [email protected]
咸宁深蓝生物医药研发有限公司18171815831 · [email protected]
湖南嘉航医药科技有限公司85521272 18229978283 · [email protected]
Aladdin Scientific[email protected]
欧利希（湖北）医药科技有限公司17316404525 17316404525 · [email protected]
MedBio脉铂医药021-69568360 18916172912 · [email protected]
VDM Biochemicals0330-2528181 · [email protected]
BOC Sciences1-631-485-4226; 16314854226 · [email protected]
宝鸡缔都医药化工有限公司029-81145305 17791533577 · [email protected]
AdooQ BioScience, LLC+1 (866) 930-6790 · [email protected]
凯试（上海）科技有限公司021-50135380 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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