Skip to the beginning of the images gallery

Glycyl-H 1152 dihydrochloride - ≥99%(HPLC), high purity , CAS No.913844-45-8

COA

Grade & Purity:

≥99%(HPLC)

Cas Number: 913844-45-8
Molecular Weight: 449.4
PubChem CID: 56972177

In stock

Item Number

G287727

Grouped product items
SKU	Size	Availability	Price	Qty
G287727-1mg	1mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$262.90

Selective Rho-kinase (ROCK) inhibitor. More selective analog ofH 1152 dihydrochloride

View related series

Aurora Kinase (63) CaMK (32) Cell Cycle (2830) Cell Cycle/DNA Damage (2602) Cytoskeleton (498) Epigenetics (1496) Histone Modification (1379) Neuronal Signaling (3320) ROCK (71) Stem Cell/Wnt (1019) TGF-beta/Smad (303)

Basic Description

Synonyms	(S)-(+)-4-Glycyl-2-methyl-1-[(4-methyl-5-isoquinolinyl)sulfonyl]-hexahydro-1H-1,4-diazepine dihydrochloride
Specifications & Purity	≥99%(HPLC)
Biochemical and Physiological Mechanisms	Glycyl analog of the Rho-kinase inhibitorH 1152 dihydrochloride that displays improved ROCKII selectivity. IC50values are 0.0118, 2.35, 2.57, 3.26, > 10 and >10μM for ROCKII, Aurora A, CAMKII, PKG, PKA and PKC respectively.
Storage Temp	Room temperature,Desiccated
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organic acids and derivatives
  - Class Carboxylic acids and derivatives
    - Subclass Amino acids, peptides, and analogues
      - Level5 Amino acids and derivatives
        Level6 Alpha amino acids and derivatives
        Level7 Alpha amino acid amides

Kingdom	Organic compounds
Superclass	Organic acids and derivatives
Class	Carboxylic acids and derivatives
Subclass	Amino acids, peptides, and analogues
Intermediate Tree Nodes	Amino acids and derivatives - Alpha amino acids and derivatives
Direct Parent	Alpha amino acid amides
Alternative Parents	Isoquinolines and derivatives Methylpyridines 1,4-diazepanes Organosulfonamides Benzenoids Tertiary carboxylic acid amides Sulfonyls Heteroaromatic compounds Tertiary amines Azacyclic compounds Organic oxides Monoalkylamines Hydrochlorides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Alpha-amino acid amide - Isoquinoline - 1,4-diazepane - Diazepane - Methylpyridine - Pyridine - Organosulfonic acid amide - Benzenoid - Heteroaromatic compound - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Tertiary carboxylic acid amide - Tertiary amine - Carboxamide group - Azacycle - Organoheterocyclic compound - Amine - Primary amine - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Primary aliphatic amine - Hydrocarbon derivative - Organic oxide - Organic nitrogen compound - Organic oxygen compound - Carbonyl group - Hydrochloride - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as alpha amino acid amides. These are amide derivatives of alpha amino acids.
External Descriptors	Not available
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

Names and Identifiers

IUPAC Name	2-amino-1-[(3S)-3-methyl-4-(4-methylisoquinolin-5-yl)sulfonyl-1,4-diazepan-1-yl]ethanone;dihydrochloride
INCHI	InChI=1S/C18H24N4O3S.2ClH/c1-13-10-20-11-15-5-3-6-16(18(13)15)26(24,25)22-8-4-7-21(12-14(22)2)17(23)9-19;;/h3,5-6,10-11,14H,4,7-9,12,19H2,1-2H3;2*1H/t14-;;/m0../s1
InChIKey	ILDBNQGLZFSHQZ-UTLKBRERSA-N
Smiles	CC1CN(CCCN1S(=O)(=O)C2=CC=CC3=C2C(=CN=C3)C)C(=O)CN.Cl.Cl
Isomeric SMILES	C[C@H]1CN(CCCN1S(=O)(=O)C2=CC=CC3=C2C(=CN=C3)C)C(=O)CN.Cl.Cl
PubChem CID	56972177
Molecular Weight	449.4

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Chemical and Physical Properties

Solubility	Solvent:water, Max Conc. mg/mL: 44.94, Max Conc. mM: 100; Solvent:DMSO, Max Conc. mg/mL: 22.47, Max Conc. mM: 50
Molecular Weight	449.400 g/mol
XLogP3
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	3
Exact Mass	448.11 Da
Monoisotopic Mass	448.11 Da
Topological Polar Surface Area	105.000 Å²
Heavy Atom Count	28
Formal Charge	0
Complexity	606.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	3

Solution Calculators

Molarity Calculator

Determine the necessary mass, volume, or concentration for preparing a solution.

Mass

Concentration

Volume

M. Wt*

g/mol

*When preparing stock solutions, always use the batch-specific molecular weight of the product found on the vial label and the Certificate of Analysis (available online).

Dilution Calculator

Determine the dilution needed to prepare a stock solution.

Concentration 1 (C1)

Volume 1 (V1)

Concentration 2 (C2)

Volume 2 (V2)

Reconstitution Calculator

The reconstitution calculator enables you to quickly determine the volume of a reagent needed to reconstitute your vial. Just enter the mass of the reagent and the target concentration, and the calculator will do the rest.

Volume (to add to vial)

Mass (in vial)

Desired Reconstitution Concentration