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Details

Stereochemistry ACHIRAL
Molecular Formula C23H27N5
Molecular Weight 373.494
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of SANT 1

SMILES

CC1=NN(C(C)=C1\C=N\N2CCN(CC3=CC=CC=C3)CC2)C4=CC=CC=C4

InChI

InChIKey=FOORCIAZMIWALX-JJIBRWJFSA-N
InChI=1S/C23H27N5/c1-19-23(20(2)28(25-19)22-11-7-4-8-12-22)17-24-27-15-13-26(14-16-27)18-21-9-5-3-6-10-21/h3-12,17H,13-16,18H2,1-2H3/b24-17+

HIDE SMILES / InChI
Molecular Formula C23H27N5
Molecular Weight 373.494
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 1
Optical Activity NONE

Description
Curator's Comment: Description was created based on several sources, including https://www.ncbi.nlm.nih.gov/pubmed/19421011 | https://www.ncbi.nlm.nih.gov/pubmed/26943330 | https://www.ncbi.nlm.nih.gov/pubmed/26781311 | https://www.ncbi.nlm.nih.gov/pubmed/23548480

SANT-1 is antagonist of Smoothened (Smo), a distant relative of G protein-coupled receptors, mediates Hedgehog (Hh) signaling during embryonic development and can initiate or transmit ligand-independent pathway activation in tumorigenesis. It suppressed cancer cell viability, proliferation and colony formation.

Originator

Approval Year

Unknown
139594
Targets

Targets

Primary TargetPharmacologyConditionPotency
Antagonist
2778
 1.2 nM [Kd]
Conditions

Conditions

ConditionModalityTargetsHighest PhaseProduct
Primary
Basic research
Unknown

Approved Use

Unknown
Primary
Basic research
Unknown

Approved Use

Unknown
Primary
Basic research
Unknown

Approved Use

Unknown
PubMed

PubMed

TitleDatePubMed
Sonic hedgehog antagonists induce cell death in acute myeloid leukemia cells with the presence of lipopolysaccharides, tumor necrosis factor-α, or interferons.
2013 Aug
Patents

Patents

EP2589385A1
1
US20110008819
1
US20140186305
1
WO2009112266A1
1

Sample Use Guides

In Vivo Use Guide
Unknown
Route of Administration: Unknown
In Vitro Use Guide
SMO inhibition in a panel of 18 tumor cell lines by SANT1 moderately decreased cell viability with GI50s between 28 and 93 uM
Substance Class Chemical
Created
by admin
on Sat Dec 16 20:02:25 GMT 2023
Edited
by admin
on Sat Dec 16 20:02:25 GMT 2023
Record UNII
GYK6BKF2M2
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
SANT 1
Common Name English
N-[(3,5-Dimethyl-1-phenyl-1H-pyrazol-4-yl)methylene]-4-(phenylmethyl)-1-piperazinamine
Systematic Name English
1-Piperazinamine, N-[(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)methylene]-4-(phenylmethyl)-
Systematic Name English
(4-Benzyl-piperazin-1-yl)-(3,5-dimethyl-1-phenyl-1H-pyrazol-4-ylmethylene)-amine
Systematic Name English
Code System Code Type Description
FDA UNII
GYK6BKF2M2
Created by admin on Sat Dec 16 20:02:25 GMT 2023 , Edited by admin on Sat Dec 16 20:02:25 GMT 2023
PRIMARY
CAS
304909-07-7
Created by admin on Sat Dec 16 20:02:25 GMT 2023 , Edited by admin on Sat Dec 16 20:02:25 GMT 2023
NON-SPECIFIC STEREOCHEMISTRY
PUBCHEM
6878030
Created by admin on Sat Dec 16 20:02:25 GMT 2023 , Edited by admin on Sat Dec 16 20:02:25 GMT 2023
PRIMARY
NIH
NCATS
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