Products for Research Use Only
RegisterLogin

TR-14035

CAT: 1568-C07120-02Size: 25 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:1568-C07120-02Size:25 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
232271-19-1
Synonyms
SB 683698, MDK-1191
SKU
C07120-5mg
Target
Integrin
Applications
Cytoskeletal Signaling
Smiles
COC1=C (C (=CC=C1) OC) C2=CC=C (C=C2) CC (C (=O) O) NC (=O) C3=C (C=CC=C3Cl) Cl
Molecular Formula
C24H21Cl2NO5
Additionnal Information
TR-14035 (SB 683698, MDK-1191) is a a dual alpha4beta (α4β) integrin antagonist with IC50 of 7 nM and 87 nM for alpha4beta7 (α4β7) and alpha4beta1 (α4β1), respectively.
Storage Conditions
3 years -20°C powder

Chemical Information

(S)-2-(2,6-Dichlorobenzamido)-3-(2',6'-dimethoxy-[1,1'-biphenyl]-4-yl)propanoic acid
CAS Number232271-19-1
PubChem CID9912743
IUPAC Name(2S)-2-[(2,6-dichlorobenzoyl)amino]-3-[4-(2,6-dimethoxyphenyl)phenyl]propanoic acid
Molecular FormulaC24H21Cl2NO5
Molecular Weight474.3
XLogP5.6
Topological Polar Surface Area84.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count8
Heavy Atom Count32
Formal Charge0
Complexity606
SMILES
COC1=C(C(=CC=C1)OC)C2=CC=C(C=C2)C[C@@H](C(=O)O)NC(=O)C3=C(C=CC=C3Cl)Cl
InChI
InChI=1S/C24H21Cl2NO5/c1-31-19-7-4-8-20(32-2)21(19)15-11-9-14(10-12-15)13-18(24(29)30)27-23(28)22-16(25)5-3-6-17(22)26/h3-12,18H,13H2,1-2H3,(H,27,28)(H,29,30)/t18-/m0/s1
InChIKey
DRSJLVGDSNWQBI-SFHVURJKSA-N
Chemical Structure
2D Structure
2D structure of (S)-2-(2,6-Dichlorobenzamido)-3-(2',6'-dimethoxy-[1,1'-biphenyl]-4-yl)propanoic acid
CAS: 232271-19-1
CID: 9912743
Formula: C24H21Cl2NO5
MW: 474.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight474.3
XLogP35.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count8
Exact Mass473.0796782
Monoisotopic Mass473.0796782
Topological Polar Surface Area84.9 Ų
Heavy Atom Count32
Formal Charge0
Complexity606
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
C02000-25mgTR-107
C02000-100mgTR-107
C02000-5mgTR-107
C02000-01TR-107
C02000-1gTR-107

Alternative Products

CatalogName
MBS3842093-01TR-14035
6908/10TR 14035
A17118-200TR-14035 200mg
A17118-100TR-14035 100mg
A17118-50TR-14035 50mg
A17118-25TR-14035 25mg
A17118-10TR-14035 10mg
A17118-5TR-14035 5mg
A17118-1TR-14035 1mg
A17118-10mM-DTR-14035 10mM * 1mL in DMSO

Popular Products