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TR-14035

CAT: 0013-GTR19168547-04Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19168547-04Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
TR-14035 (MDK-1191) is a potent small molecule dual antagonist targeting α4β7 and α4β1 integrins with IC50 values of 7 nM and 87 nM, respectively. It is a valuable research tool for investigating integrin function in inflammatory and autoimmune diseases, supporting both in vitro and in vivo experimental studies.
CAS Number
232271-19-1
Product Name Alternative
α4β7 integrin, α4β1 integrin, TR 14035, TR14035, TR-14035, MDK1191, MDK-1191, MDK 1191, Inhibitor, Integrin, inhibit, inflammation, disease, alpha (4), asthma, autoimmune, allergic
Field of Research
Signal Transduction
Purity
98.98% (May vary between batches)
Solubility
10% DMSO+40% PEG300+5% Tween 80+45% Saline:2 mg/mL (4.22 mM) ; DMSO:40 mg/mL (84.33 mM) ; H2O:Insoluble
Smiles
COc1cccc (OC) c1-c1ccc (C[C@H] (NC (=O) c2c (Cl) cccc2Cl) C (O) =O) cc1
Molecular Formula
C24H21Cl2NO5
Molecular Weight
474.33
Storage Conditions
-20°C
Notes
For research use only.

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

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