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Details

Stereochemistry ABSOLUTE
Molecular Formula C27H27Cl2N5O3S
Molecular Weight 572.506
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of JD-5037

SMILES

CC(C)[C@H](N\C(=N/S(=O)(=O)C1=CC=C(Cl)C=C1)N2C[C@@H](C(=N2)C3=CC=C(Cl)C=C3)C4=CC=CC=C4)C(N)=O

InChI

InChIKey=GTCSIQFTNPTSLO-RPWUZVMVSA-N
InChI=1S/C27H27Cl2N5O3S/c1-17(2)24(26(30)35)31-27(33-38(36,37)22-14-12-21(29)13-15-22)34-16-23(18-6-4-3-5-7-18)25(32-34)19-8-10-20(28)11-9-19/h3-15,17,23-24H,16H2,1-2H3,(H2,30,35)(H,31,33)/t23-,24+/m1/s1

HIDE SMILES / InChI

Molecular Formula C27H27Cl2N5O3S
Molecular Weight 572.506
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 1
Optical Activity UNSPECIFIED

Approval Year

Targets

Targets

Primary TargetPharmacologyConditionPotency
0.35 nM [Ki]
PubMed

PubMed

TitleDatePubMed
Amplitude-selective filtering for remote-PPG.
2017 Mar 1
Preclinical toxicity evaluation of JD5037, a peripherally restricted CB(1) receptor inverse agonist, in rats and dogs for treatment of nonalcoholic steatohepatitis.
2019 Dec
Targeting Peripheral CB(1) Receptors Reduces Ethanol Intake via a Gut-Brain Axis.
2019 Jun 4
Dual inhibition of cannabinoid CB(1) receptor and inducible NOS attenuates obesity-induced chronic kidney disease.
2020 Jan
Substance Class Chemical
Created
by admin
on Sat Dec 16 14:05:32 GMT 2023
Edited
by admin
on Sat Dec 16 14:05:32 GMT 2023
Record UNII
ENZ75DG2Z6
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
JD-5037
Common Name English
CRB-4001
Common Name English
BUTANAMIDE, 2-((((4S)-3-(4-CHLOROPHENYL)-4,5-DIHYDRO-4-PHENYL-1H-PYRAZOL-1-YL)(((4-CHLOROPHENYL)SULFONYL)AMINO)METHYLENE)AMINO)-3-METHYL-, (2S)-
Systematic Name English
Code System Code Type Description
FDA UNII
ENZ75DG2Z6
Created by admin on Sat Dec 16 14:05:32 GMT 2023 , Edited by admin on Sat Dec 16 14:05:32 GMT 2023
PRIMARY
CAS
1392116-14-1
Created by admin on Sat Dec 16 14:05:32 GMT 2023 , Edited by admin on Sat Dec 16 14:05:32 GMT 2023
PRIMARY
PUBCHEM
66553204
Created by admin on Sat Dec 16 14:05:32 GMT 2023 , Edited by admin on Sat Dec 16 14:05:32 GMT 2023
PRIMARY
EPA CompTox
DTXSID301030409
Created by admin on Sat Dec 16 14:05:32 GMT 2023 , Edited by admin on Sat Dec 16 14:05:32 GMT 2023
PRIMARY
Related Record Type Details
TARGET->INVERSE AGONIST
METABOLIC ENZYME -> INHIBITOR
at 10 μM 80% inhibition
IC50