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H 1152 dihydrochloride - 98%, high purity , CAS No.871543-07-6

COA

Grade & Purity:

≥98%

Cas Number: 871543-07-6
Molecular Weight: 392.34
PubChem CID: 11560225
PubChem SID: 504766550

In stock

Item Number

H275996

Grouped product items
SKU	Size	Availability	Price
H275996-1mg	1mg	3	$55.90
H275996-5mg	5mg	2	$137.90
H275996-10mg	10mg	3	$259.90
H275996-25mg	25mg	2	$499.90
H275996-50mg	50mg	1	$726.90
H275996-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,016.90

Highly specific and potent ROCK inhibitor

View related series

Cell Cycle (2830) Cell Cycle/DNA Damage (2602) Cytoskeleton (498) ROCK (71) Stem Cell/Wnt (1019) TGF-beta/Smad (303)

Basic Description

Synonyms	H-1152P \| brd7446 dihydrochloride \| F84963 \| A900038 \| H-1152 2HCl \| BCP25257 \| (S)-(+)-2-Methyl-1-[(4-methyl-5-isoquinolinyl)sulfonyl]-hexahydro-1H-1,4-diazepine dihydrochloride \| BTA46258 \| 4-methyl-5-[(2S)-2-methyl-1,4-diazepane-1-sulfonyl]isoquinoline
Specifications & Purity	≥98%
Biochemical and Physiological Mechanisms	Highly specific, potent, cell permeable\xa0and ATP-competitive inhibitor of G-protein Rho-associated kinase (ROCK: K i =1.6nM). Cell-permeable isoquinolinesulfonamide compound.
Storage Temp	Store at -20°C
Shipped In	Ice chest + Ice pads This product requires cold chain shipping. Ground and other economy services are not available.
Note	Refer to SDS for further information. Need more advice on solubility, usage and handling? Please visit our frequently asked questions (FAQ) page for more details.
Product Description	Shipped at room temperature. Store at -20°C.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Isoquinolines and derivatives

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Isoquinolines and derivatives
Subclass	Not available
Intermediate Tree Nodes	Not available
Direct Parent	Isoquinolines and derivatives
Alternative Parents	Methylpyridines 1,4-diazepanes Organosulfonamides Benzenoids Sulfonyls Heteroaromatic compounds Dialkylamines Azacyclic compounds Organic oxides Hydrochlorides Hydrocarbon derivatives
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Isoquinoline - 1,4-diazepane - Diazepane - Methylpyridine - Pyridine - Organosulfonic acid amide - Benzenoid - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Heteroaromatic compound - Sulfonyl - Secondary amine - Secondary aliphatic amine - Azacycle - Amine - Organic nitrogen compound - Hydrocarbon derivative - Organosulfur compound - Organonitrogen compound - Organic oxide - Organic oxygen compound - Hydrochloride - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as isoquinolines and derivatives. These are aromatic polycyclic compounds containing an isoquinoline moiety, which consists of a benzene ring fused to a pyridine ring and forming benzo[c]pyridine.
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

Pubchem Sid	504766550
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504766550
IUPAC Name	4-methyl-5-[[(2S)-2-methyl-1,4-diazepan-1-yl]sulfonyl]isoquinoline;dihydrochloride
INCHI	InChI=1S/C16H21N3O2S.2ClH/c1-12-9-18-11-14-5-3-6-15(16(12)14)22(20,21)19-8-4-7-17-10-13(19)2;;/h3,5-6,9,11,13,17H,4,7-8,10H2,1-2H3;2*1H/t13-;;/m0../s1
InChIKey	BFOPDSJOLUQULZ-GXKRWWSZSA-N
Smiles	CC1CNCCCN1S(=O)(=O)C2=CC=CC3=C2C(=CN=C3)C.Cl.Cl
Isomeric SMILES	C[C@H]1CNCCCN1S(=O)(=O)C2=CC=CC3=C2C(=CN=C3)C.Cl.Cl
PubChem CID	11560225
Molecular Weight	392.34

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

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

Analytical Chart:

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10 results found

Lot Number	Certificate Type	Date	Item
H23031061	Certificate of Analysis	May 13, 2024	H275996
H23031058	Certificate of Analysis	May 13, 2024	H275996
H2303974	Certificate of Analysis	May 13, 2024	H275996
H2303980	Certificate of Analysis	May 13, 2024	H275996
H2303976	Certificate of Analysis	May 13, 2024	H275996
H2303981	Certificate of Analysis	May 09, 2024	H275996
H23031063	Certificate of Analysis	May 09, 2024	H275996
H23031060	Certificate of Analysis	May 09, 2024	H275996
H23031059	Certificate of Analysis	May 09, 2024	H275996
H2303977	Certificate of Analysis	May 09, 2024	H275996

Chemical and Physical Properties

Solubility	Soluble in methanol and water.
Sensitivity	Moisture sensitive
Molecular Weight	392.300 g/mol
XLogP3
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	2
Exact Mass	391.089 Da
Monoisotopic Mass	391.089 Da
Topological Polar Surface Area	70.700 Å²
Heavy Atom Count	24
Formal Charge	0
Complexity	476.000
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

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