U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C22H32N6O4
Molecular Weight 444.5273
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Sitokiren

SMILES

COC(=O)NCCCN1N=C([C@@H](C)N(C2CC2)C(=O)[C@H]3CNCCO3)C4=C1N=C(C)C=C4

InChI

InChIKey=GRTDDIZIUSADLD-CRAIPNDOSA-N
InChI=1S/C22H32N6O4/c1-14-5-8-17-19(26-27(20(17)25-14)11-4-9-24-22(30)31-3)15(2)28(16-6-7-16)21(29)18-13-23-10-12-32-18/h5,8,15-16,18,23H,4,6-7,9-13H2,1-3H3,(H,24,30)/t15-,18-/m1/s1

HIDE SMILES / InChI

Molecular Formula C22H32N6O4
Molecular Weight 444.5273
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 09:54:26 GMT 2025
Edited
by admin
on Wed Apr 02 09:54:26 GMT 2025
Record UNII
C2M78A9V6Z
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Sitokiren
INN  
Official Name English
SPH-3127
Preferred Name English
Methyl N-[3-[3-[(1R)-1-[cyclopropyl[(2R)-2-morpholinylcarbonyl]amino]ethyl]-6-methyl-1H-pyrazolo[3,4-b]pyridin-1-yl]propyl]carbamate
Systematic Name English
sitokiren [INN]
Common Name English
methyl [3-(3-{(1R)-1-[(2R)-N-cyclopropylmorpholine-2-carboxamido]ethyl}-6-methyl-1H-pyrazolo[3,4-b]pyridin-1-yl)propyl]carbamate
Systematic Name English
SPH3127
Code English
CARBAMIC ACID, N-(3-(3-((1R)-1-(CYCLOPROPYL((2R)-2-MORPHOLINYLCARBONYL)AMINO)ETHYL)-6-METHYL-1H-PYRAZOLO(3,4-B)PYRIDIN-1-YL)PROPYL)-, METHYL ESTER
Systematic Name English
Code System Code Type Description
INN
13049
Created by admin on Wed Apr 02 09:54:26 GMT 2025 , Edited by admin on Wed Apr 02 09:54:26 GMT 2025
PRIMARY
CAS
1399849-02-5
Created by admin on Wed Apr 02 09:54:26 GMT 2025 , Edited by admin on Wed Apr 02 09:54:26 GMT 2025
PRIMARY
SMS_ID
300000054544
Created by admin on Wed Apr 02 09:54:26 GMT 2025 , Edited by admin on Wed Apr 02 09:54:26 GMT 2025
PRIMARY
NCI_THESAURUS
C206989
Created by admin on Wed Apr 02 09:54:26 GMT 2025 , Edited by admin on Wed Apr 02 09:54:26 GMT 2025
PRIMARY
PUBCHEM
117877477
Created by admin on Wed Apr 02 09:54:26 GMT 2025 , Edited by admin on Wed Apr 02 09:54:26 GMT 2025
PRIMARY
FDA UNII
C2M78A9V6Z
Created by admin on Wed Apr 02 09:54:26 GMT 2025 , Edited by admin on Wed Apr 02 09:54:26 GMT 2025
PRIMARY
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