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Y-39983 HCl - 97%, high purity , CAS No.173897-44-4

COA

Grade & Purity:

≥97%

Cas Number: 173897-44-4
Molecular Weight: 353.25
PubChem CID: 20601328
PubChem SID: 504768925

In stock

Item Number

Y413877

Grouped product items
SKU	Size	Availability	Price
Y413877-5mg	5mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$79.90
Y413877-10mg	10mg	3	$134.90
Y413877-25mg	25mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$283.90
Y413877-50mg	50mg	3	$453.90

ROCK Inhibitors

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	4-[(1R)-1-Aminoethyl]-N-(1H-pyrrolo[2,3-b]pyridin-4-yl)benzamide--hydrogen chloride (1/2) \| SCHEMBL599800 \| BS-49924 \| A921358 \| 4-[(1R)-1-aminoethyl]-N-(1H-pyrrolo[2,3-b]pyridin-4-yl)benzamide;dihydrochloride \| HY-10069 \| Y-33075 2HCl \| CS-0096 \| Y-39983
Specifications & Purity	≥97%
Biochemical and Physiological Mechanisms	Y-39983 HCl (Y-33075) is a selective rho-associated protein kinase(ROCK) inhibitor with an IC50 of 3.6 nM.
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.
Product Description	Information Y-39983 HCl Y-39983 HCl (Y-33075) is a selective rho-associated protein kinase(ROCK) inhibitor with an IC50 of 3.6 nM. Targets ROCK (Cell-free assay) 3.6 nM In vitro Y-39983 opposes ROCK-dependent phosphorylation of MYPT1 predominantly at Thr853 with a corresponding decrease in MLC phosphorylation. It reduces the phosphorylation at Thr696 and Thr853 and leads to reduced actomyosin contraction. Y-39983 shows an IC50 of ~200 nM for dephosphorylation at Thr696 and only 15 nM for dephosphorylation at Thr853. The IC50 for dephosphorylation of MLC is 14 nM. In vivo Y-39983 significantly suppresses clinical symptoms of EAE and prevents its relapse while increasing the amount of myelin proteins. Its treatment results in reduced demyelination with no significant change in axonal damage, which may be due to the inactivation of ROCK substrates, including phosphorylated (p)-MLC, LIMK2 and CRMP-2, which are important for neurite outgrowth, growth cone collapse and remyelination of oligodendrocytes. Cell Research(from reference) Cell lines：Human glaucomatous trabecular meshwork (GTM3) cell line Concentrations：5 μM Incubation Time：1 h

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Pyrrolopyridines

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Pyrrolopyridines
Subclass	Not available
Intermediate Tree Nodes	Not available
Direct Parent	Pyrrolopyridines
Alternative Parents	Benzamides Benzoyl derivatives Aralkylamines Pyridines and derivatives Pyrroles Heteroaromatic compounds Secondary carboxylic acid amides Amino acids and derivatives Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organic oxides Monoalkylamines Hydrochlorides Hydrocarbon derivatives
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Benzamide - Benzoic acid or derivatives - Pyrrolopyridine - Benzoyl - Aralkylamine - Monocyclic benzene moiety - Pyridine - Benzenoid - Heteroaromatic compound - Pyrrole - Secondary carboxylic acid amide - Carboxamide group - Amino acid or derivatives - Azacycle - Carboxylic acid derivative - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Primary aliphatic amine - Primary amine - Organic oxide - Organopnictogen compound - Organic oxygen compound - Amine - Organic nitrogen compound - Hydrochloride - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as pyrrolopyridines. These are compounds containing a pyrrolopyridine moiety, which consists of a pyrrole ring fused to a pyridine. Pyrrole is 5-membered ring consisting of four carbon atoms and one nitrogen atom. Pyridine is a 6-membered ring consisting of five carbon atoms and one nitrogen center.
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	504768925
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504768925
IUPAC Name	4-[(1R)-1-aminoethyl]-N-(1H-pyrrolo[2,3-b]pyridin-4-yl)benzamide;dihydrochloride
INCHI	InChI=1S/C16H16N4O.2ClH/c1-10(17)11-2-4-12(5-3-11)16(21)20-14-7-9-19-15-13(14)6-8-18-15;;/h2-10H,17H2,1H3,(H2,18,19,20,21);2*1H/t10-;;/m1../s1
InChIKey	CKFHAVRPVZNMGT-YQFADDPSSA-N
Smiles	CC(C1=CC=C(C=C1)C(=O)NC2=C3C=CNC3=NC=C2)N.Cl.Cl
Isomeric SMILES	C[C@H](C1=CC=C(C=C1)C(=O)NC2=C3C=CNC3=NC=C2)N.Cl.Cl
PubChem CID	20601328
Molecular Weight	353.25

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

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

Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

2 results found

Lot Number	Certificate Type	Date	Item
I2226087	Certificate of Analysis	Jul 21, 2022	Y413877
I2226088	Certificate of Analysis	Jul 21, 2022	Y413877

Chemical and Physical Properties

Solubility	Solubility (25°C) In vitro DMSO: 70 mg/mL (198.15 mM); Water: 70 mg/mL (198.15 mM); Ethanol: 3 mg/mL (8.49 mM);
Molecular Weight	353.200 g/mol
XLogP3
Hydrogen Bond Donor Count	5
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	352.086 Da
Monoisotopic Mass	352.086 Da
Topological Polar Surface Area	83.800 Å²
Heavy Atom Count	23
Formal Charge	0
Complexity	367.000
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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