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LDN 193189 - GMP, ≥99%, high purity , CAS No.1435934-00-1

COA

Grade & Purity:

GMP

≥99%

Cas Number: 1435934-00-1
Molecular Weight: 479.4
PubChem CID: 91900717

In stock

Item Number

L753296-GMP

Grouped product items
SKU	Size	Availability	Price	Qty
L753296-GMP-10mg	10mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,221.90

LDN 193189 synthesized to cGMP guidelines

Basic Description

Synonyms	4-[6-[4-(1-Piperazinyl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline dihydrochloride
Specifications & Purity	GMP, ≥99%
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.
Grade	GMP
Product Description	Potent and selective ALK2 and ALK3 inhibitor. Promotes neural induction of hPSCs

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Diazines
    - Subclass Pyrimidines and pyrimidine derivatives

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Diazines
Subclass	Pyrimidines and pyrimidine derivatives
Intermediate Tree Nodes	Not available
Direct Parent	Phenylpyrimidines
Alternative Parents	Phenylpiperazines N-arylpiperazines Quinolines and derivatives Pyrazolo[1,5-a]pyrimidines Dialkylarylamines Aniline and substituted anilines Pyridines and derivatives Pyrazoles Heteroaromatic compounds Dialkylamines Azacyclic compounds Hydrochlorides Hydrocarbon derivatives
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Phenylpiperazine - 5-phenylpyrimidine - N-arylpiperazine - Quinoline - Pyrazolo[1,5-a]pyrimidine - Pyrazolopyrimidine - Tertiary aliphatic/aromatic amine - Aniline or substituted anilines - Dialkylarylamine - Benzenoid - Monocyclic benzene moiety - 1,4-diazinane - Pyridine - Piperazine - Azole - Heteroaromatic compound - Pyrazole - Tertiary amine - Secondary amine - Secondary aliphatic amine - Azacycle - Amine - Hydrochloride - Organonitrogen compound - Organic nitrogen compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as phenylpyrimidines. These are polycyclic aromatic compounds containing a benzene ring linked to a pyrimidine ring through a CC or CN bond. Pyrimidine is a 6-membered ring consisting of four carbon atoms and two nitrogen centers at the 1- and 3- ring positions.
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	4-[6-(4-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;dihydrochloride
INCHI	InChI=1S/C25H22N6.2ClH/c1-2-4-24-22(3-1)21(9-10-27-24)23-16-29-31-17-19(15-28-25(23)31)18-5-7-20(8-6-18)30-13-11-26-12-14-30;;/h1-10,15-17,26H,11-14H2;2*1H
InChIKey	CMQXLLAILGGLRV-UHFFFAOYSA-N
Smiles	C1CN(CCN1)C2=CC=C(C=C2)C3=CN4C(=C(C=N4)C5=CC=NC6=CC=CC=C56)N=C3.Cl.Cl
Isomeric SMILES	C1CN(CCN1)C2=CC=C(C=C2)C3=CN4C(=C(C=N4)C5=CC=NC6=CC=CC=C56)N=C3.Cl.Cl
PubChem CID	91900717
Molecular Weight	479.4

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	479.400 g/mol
XLogP3
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	3
Exact Mass	478.144 Da
Monoisotopic Mass	478.144 Da
Topological Polar Surface Area	58.400 Å²
Heavy Atom Count	33
Formal Charge	0
Complexity	587.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
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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