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

Details

Stereochemistry ABSOLUTE
Molecular Formula C22H24F3N3O4
Molecular Weight 451.4389
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of SB-273005

SMILES

CNC1=CC=CC(CCOC2=CC=C3C[C@@H](CC(O)=O)C(=O)N(CC(F)(F)F)CC3=C2)=N1

InChI

InChIKey=KSSPHFGIOASRDE-HNNXBMFYSA-N
InChI=1S/C22H24F3N3O4/c1-26-19-4-2-3-17(27-19)7-8-32-18-6-5-14-9-15(11-20(29)30)21(31)28(12-16(14)10-18)13-22(23,24)25/h2-6,10,15H,7-9,11-13H2,1H3,(H,26,27)(H,29,30)/t15-/m0/s1

HIDE SMILES / InChI
Molecular Formula C22H24F3N3O4
Molecular Weight 451.4389
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Description
Curator's Comment: Description was created based on several sources, including http://adisinsight.springer.com/drugs/800013133

SB-273005 is one in a series of orally active nonpeptide vitronectin αvβ3 inhibitors. SB-273005 had been in phase I clinical trials by GlaxoSmithKline for the treatment of postmenopausal osteoporosis and rheumatoid arthritis (RA). However, this research has been discontinued.

Originator

Approval Year

Unknown
139594
Targets

Targets

Primary TargetPharmacologyConditionPotency
Antagonist
2778
 1.2 nM [Ki]
Conditions

Conditions

ConditionModalityTargetsHighest PhaseProduct
Primary
Phase I
428
Unknown

Approved Use

Unknown
Primary
Phase I
428
Unknown

Approved Use

Unknown
Sourcing

Sourcing

Vendor/AggregatorIDURL
BLD Pharm
BD287787
http://www.bldpharm.com/search/Search.html?keyword=BD287787
MolPort
MolPort-035-944-337
https://www.molport.com/shop/molecule-link/MolPort-035-944-337
Molnova
M17422
https://www.molnova.com/en/serch-list.html?keywords=M17422
MuseChem
I011639
https://www.musechem.com/product/I011639.html
Selleck Chemicals
S7540
http://www.selleckchem.com/search.html?searchDTO.searchParam=S7540
ShangHai Biochempartner
BCP001410
http://www.biochempartner.com/search_BCP001410
eMolecules
50894611
https://orderbb.emolecules.com/search/#?query=50894611
mcule
MCULE-8873503203
https://mcule.com/MCULE-8873503203/
PubMed

PubMed

TitleDatePubMed
Antagonism of the osteoclast vitronectin receptor with an orally active nonpeptide inhibitor prevents cancellous bone loss in the ovariectomized rat.
2001 Feb
Patents

Patents

06825188
3
JP2006522139A
2

Sample Use Guides

In Vivo Use Guide
Mice: day 1 (D1) pregnant mice were administered with SB-273005 (3 mg/kg) by gavage at D3, D4 and D5.
Route of Administration: Oral
In Vitro Use Guide
Incubation of murine VSMC monocultures with SB-273005 showed a statistically significant, concentration-dependent decrease (0.0001–1 uM) in the percentage of viable cells following treatment for up to 12 h. Treatment of VSMC monocultures for 4–24 h with 0.001 uM SB- 273005 produced a statistically significant decrease in viability.
Substance Class Chemical
Created
by admin
on Fri Dec 15 15:32:46 GMT 2023
Edited
by admin
on Fri Dec 15 15:32:46 GMT 2023
Record UNII
HG7MY8V9AA
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
SB-273005
Code English
1H-2-BENZAZEPINE-4-ACETIC ACID, 2,3,4,5-TETRAHYDRO-8-(2-(6-(METHYLAMINO)-2-PYRIDINYL)ETHOXY)-3-OXO-2-(2,2,2-TRIFLUOROETHYL)-, (4S)-
Systematic Name English
Code System Code Type Description
FDA UNII
HG7MY8V9AA
Created by admin on Fri Dec 15 15:32:46 GMT 2023 , Edited by admin on Fri Dec 15 15:32:46 GMT 2023
PRIMARY
CAS
205678-31-5
Created by admin on Fri Dec 15 15:32:46 GMT 2023 , Edited by admin on Fri Dec 15 15:32:46 GMT 2023
PRIMARY
PUBCHEM
9868426
Created by admin on Fri Dec 15 15:32:46 GMT 2023 , Edited by admin on Fri Dec 15 15:32:46 GMT 2023
PRIMARY
NIH
NCATS
PRIVACY ACT
ACCESSIBILITY
DISCLAIMER
HHS VULNERABILITY DISCLOSURE
For language access assistance, contact the NCATS Public Information Officer
National Center for Advancing Translational Sciences (NCATS),
6701 Democracy Boulevard, Bethesda MD 20892-4874 • 301-594-8966