PSB-10 HYDROCHLORIDE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C16H14Cl3N5O.ClH
Molecular Weight	435.135
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

Cl.CC[C@@H]1CN2C(=N1)C3=C(NC(=N3)C4=CC(Cl)=CC(Cl)=C4Cl)N(C)C2=O

InChI

InChIKey=JUPMOTHIKGWECW-DDWIOCJRSA-N

InChI=1S/C16H14Cl3N5O.ClH/c1-3-8-6-24-15(20-8)12-14(23(2)16(24)25)22-13(21-12)9-4-7(17)5-10(18)11(9)19;/h4-5,8H,3,6H2,1-2H3,(H,21,22);1H/t8-;/m1./s1

HIDE SMILES / InChI

Molecular Formula	ClH
Molecular Weight	36.461
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Molecular Formula	C16H14Cl3N5O
Molecular Weight	398.674
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	1 / 1
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Targets

Primary Target	Pharmacology	Potency
Adenosine A3 receptor 24 Target ID: CHEMBL256 Sources: https://www.ncbi.nlm.nih.gov/pubmed/12517430	Antagonist 2778	0.433 nM [Ki]
Adenosine A1 receptor 50 Target ID: CHEMBL226 Sources: https://www.ncbi.nlm.nih.gov/pubmed/12517430	Antagonist 2778	1.7 µM [Ki]
Adenosine A2a receptor 30 Target ID: CHEMBL251 Sources: https://www.ncbi.nlm.nih.gov/pubmed/12517430	Antagonist 2778	2.7 µM [Ki]
Adenosine receptor A3 2 Target ID: P0DMS8 Gene ID: 140.0 Gene Symbol: ADORA3 Target Organism: Homo sapiens (Human) Sources: https://www.ncbi.nlm.nih.gov/pubmed/23359122	Antagonist 2778	0.441 nM [Ki]

PubMed

Title	Date	PubMed
Adenosine receptor subtype-selective antagonists in inflammation and hyperalgesia.	2008 Mar	18188542
Antiproliferative effects of selective adenosine receptor agonists and antagonists on human lymphocytes: evidence for receptor-independent mechanisms.	2013 Sep	23359122

Substance Class	Chemical Created by `admin` on `Sat Dec 16 16:56:42 GMT 2023` Edited by `admin` on `Sat Dec 16 16:56:42 GMT 2023`
Record UNII	C2R36CZP9N
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

PSB-10 HYDROCHLORIDE

Code

English

5H-IMIDAZO(2,1-I)PURIN-5-ONE, 8-ETHYL-3,4,7,8-TETRAHYDRO-4-METHYL-2-(2,3,5-TRICHLOROPHENYL)-, HYDROCHLORIDE (1:1), (8R)-

Systematic Name

English

5H-IMIDAZO(2,1-I)PURIN-5-ONE, 8-ETHYL-1,4,7,8-TETRAHYDRO-4-METHYL-2-(2,3,5-TRICHLOROPHENYL)-, MONOHYDROCHLORIDE, (8R)-

Systematic Name

English

Code System Code Type Description

CAS

591771-91-4

Created by admin on Sat Dec 16 16:56:42 GMT 2023 , Edited by admin on Sat Dec 16 16:56:42 GMT 2023

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PUBCHEM

71308259

Created by admin on Sat Dec 16 16:56:42 GMT 2023 , Edited by admin on Sat Dec 16 16:56:42 GMT 2023

PRIMARY

EPA CompTox

DTXSID501028434

Created by admin on Sat Dec 16 16:56:42 GMT 2023 , Edited by admin on Sat Dec 16 16:56:42 GMT 2023

PRIMARY

FDA UNII

C2R36CZP9N

Created by admin on Sat Dec 16 16:56:42 GMT 2023 , Edited by admin on Sat Dec 16 16:56:42 GMT 2023

PRIMARY

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