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Small Molecules & Compound Libraries
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Metabolic Enzyme/Protease
Phosphodiesterase (PDE)
PDE10-IN-1 - 99%, high purity , CAS No.1516896-09-5

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PDE10-IN-1 - 99%, high purity , CAS No.1516896-09-5

COA

Grade & Purity:

≥99%

Cas Number: 1516896-09-5
Molecular Weight: 369.42
PubChem CID: 72709059

In stock

Item Number

P648915

Grouped product items
SKU	Size	Availability	Price
P648915-2mg	2mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$194.90
P648915-5mg	5mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$420.90
P648915-10mg	10mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$600.90

View related series

Metabolic Enzyme/Protease (4860) Nucleic Acid Metabolism (395) Phosphodiesterase (PDE) (252)

Basic Description

Specifications & Purity	≥99%
Biochemical and Physiological Mechanisms	PDE10-IN-1 is a potent PDE10-IN-1 inhibitor extracted from Patent WO 2013192273 A1, for treating CNS and metabolic disorders.
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	PDE10-IN-1 is a potent PDE10-IN-1 inhibitor extracted from Patent WO 2013192273 A1, for treating CNS and metabolic disorders. Form:Solid

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Diazanaphthalenes
    - Subclass Naphthyridines

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Diazanaphthalenes
Subclass	Naphthyridines
Intermediate Tree Nodes	Not available
Direct Parent	Naphthyridines
Alternative Parents	Triazolopyrazines Imidazo[1,2-a]pyridines Pyridines and derivatives Pyrazines N-substituted imidazoles Triazoles Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Hydrocarbon derivatives
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Naphthyridine - Imidazo[1,2-a]pyridine - Triazolopyrazine - Pyridine - Pyrazine - N-substituted imidazole - Heteroaromatic compound - 1,2,4-triazole - Triazole - Imidazole - Azole - Azacycle - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as naphthyridines. These are compounds containing a naphthyridine moiety, a naphthalene in which a carbon atom has been replaced by a nitrogen in each of the two rings. The naphthyridine skeleton can also be described as an assembly two fused pyridine rings, which do not share their nitrogen atom.
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

Associated Targets(non-human)

Hdac6 Histone deacetylase 6 (222 Activities)

Discover Target: Hdac6

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Mechanism of Action	Action Type	target ID	Target Name	Target Type	Target Organism	Binding Site Name	References

Names and Identifiers

IUPAC Name	2-[(1R,2R)-2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)cyclopropyl]-3-methylimidazo[2,1-f][1,6]naphthyridine
INCHI	InChI=1S/C21H19N7/c1-11-10-23-12(2)20-25-19(26-28(11)20)16-9-15(16)18-13(3)27-8-6-17-14(21(27)24-18)5-4-7-22-17/h4-8,10,15-16H,9H2,1-3H3/t15-,16-/m1/s1
InChIKey	ZLHNYULRKIEGAY-HZPDHXFCSA-N
Smiles	CC1=CN=C(C2=NC(=NN12)C3CC3C4=C(N5C=CC6=C(C5=N4)C=CC=N6)C)C
Isomeric SMILES	CC1=CN=C(C2=NC(=NN12)[C@@H]3C[C@H]3C4=C(N5C=CC6=C(C5=N4)C=CC=N6)C)C
PubChem CID	72709059
Molecular Weight	369.42

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

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

Analytical Chart:

Chemical and Physical Properties

Solubility	DMSO : 2 mg/mL (5.41 mM; Need ultrasonic)
Molecular Weight	369.400 g/mol
XLogP3	3.000
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	2
Exact Mass	369.17 Da
Monoisotopic Mass	369.17 Da
Topological Polar Surface Area	73.300 Å²
Heavy Atom Count	28
Formal Charge	0
Complexity	601.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	2
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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