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LTI-291 - 10mM in DMSO, high purity , CAS No.1919820-28-2
Basic Description
Synonyms
LTI-291 | 1919820-28-2 | Gcase activator 1 | 5,7-Dimethyl-N-(4-pentoxycyclohexyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide | V9WUN9UUU8 | 5,7-Dimethyl-N-(trans-4-(pentyloxy)cyclohexyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide | 5,7-dimethyl-N-((1r,4r)-4-(pentyloxy)cycloh
Specifications & Purity
10mM in DMSO
Storage Temp
Store at -80°C
Shipped In
Ice chest + Ice pads
This product requires cold chain shipping. Ground and other economy services are not available.
Product Description
Information
LTI-291 is the first small-molecule activator ofGlucocerebrosidase(GCase)for the treatment of parkinson's disease.
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Pyrazolopyrimidines
Subclass
Pyrazolo[1,5-a]pyrimidines
Intermediate Tree Nodes
Not available
Direct Parent
Pyrazolo[1,5-a]pyrimidines
Alternative Parents
Pyrazole-4-carboxamides Hydropyrimidines Vinylogous amides Secondary ketimines Heteroaromatic compounds Propargyl-type 1,3-dipolar organic compounds Hydrazones Dialkyl ethers Carboxylic acid amides Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Pyrazolo[1,5-a]pyrimidine - Pyrazole-4-carboxamide - Pyrimidine - 1,2-dihydropyrimidine - Hydropyrimidine - Heteroaromatic compound - Vinylogous amide - Secondary ketimine - Pyrazole - Azole - Ketimine - Carboxamide group - Azacycle - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Hydrazone - Ether - Dialkyl ether - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Imine - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as pyrazolo[1,5-a]pyrimidines. These are aromatic heterocyclic compounds containing a pyrazolo[3,4-d]pyrimidine ring system, which consists of a pyrazole ring fused to and sharing exactly one nitrogen atom with a pyrimidine ring.
External Descriptors
Not available
Data sources
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.
Names and Identifiers
IUPAC Name
5,7-dimethyl-N-(4-pentoxycyclohexyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
INCHI
InChI=1S/C20H30N4O2/c1-4-5-6-11-26-17-9-7-16(8-10-17)23-20(25)18-13-21-24-15(3)12-14(2)22-19(18)24/h12-13,16-17H,4-11H2,1-3H3,(H,23,25)
InChIKey
HZILSILAELSWKN-UHFFFAOYSA-N
Smiles
CCCCCOC1CCC(CC1)NC(=O)C2=C3N=C(C=C(N3N=C2)C)C
Isomeric SMILES
CCCCCOC1CCC(CC1)NC(=O)C2=C3N=C(C=C(N3N=C2)C)C
PubChem CID
121327414
Molecular Weight
358.48
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
358.500 g/mol
XLogP3
3.400
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
7
Exact Mass
358.237 Da
Monoisotopic Mass
358.237 Da
Topological Polar Surface Area
68.500 Ų
Heavy Atom Count
26
Formal Charge
0
Complexity
453.000
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
1
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