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Details

Stereochemistry ABSOLUTE
Molecular Formula C27H27Cl2N5O3S
Molecular Weight 572.508
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])(C(=N)O)N=C(NS(=O)(=O)c1ccc(cc1)Cl)N2C[C@]([H])(c3ccccc3)C(=N2)c4ccc(cc4)Cl

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 572.508
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
Cannabinoid-1 Receptor Antagonism Improves Glycemic Control and Increases Energy Expenditure Through Sirtuin-1/Mechanistic Target of Rapamycin Complex 2 and 5'Adenosine Monophosphate-Activated Protein Kinase Signaling.
2019 Apr
Targeting Peripheral CB1 Receptors Reduces Ethanol Intake via a Gut-Brain Axis.
2019 Jun 4
Substance Class Chemical
Created
by admin
on Sat Jun 26 12:28:19 UTC 2021
Edited
by admin
on Sat Jun 26 12:28:19 UTC 2021
Record UNII
ENZ75DG2Z6
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
JD-5037
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 Jun 26 12:28:19 UTC 2021 , Edited by admin on Sat Jun 26 12:28:19 UTC 2021
PRIMARY
CAS
1392116-14-1
Created by admin on Sat Jun 26 12:28:19 UTC 2021 , Edited by admin on Sat Jun 26 12:28:19 UTC 2021
PRIMARY
PUBCHEM
66553204
Created by admin on Sat Jun 26 12:28:19 UTC 2021 , Edited by admin on Sat Jun 26 12:28:19 UTC 2021
PRIMARY
Related Record Type Details
TARGET->INVERSE AGONIST
METABOLIC ENZYME -> INHIBITOR
at 10 ?M 80% inhibition
IC50