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TC-I 15

CAT: 0804-HY-107588-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-107588-01Size:5 mg
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Description
TC-I 15 (TC-I-15) is a type of allosteric collagen-binding integrin α2β1 inhibitor, and it also inhibits α1β1 and α11β1. TC-I 15 inhibits platelet adhesion to collagen and thrombus deposition. TC-I 15 prevents the formation of a pre-metastatic microenvironment by inhibiting the uptake of cancer-associated fibroblast (CAF) extracellular vesicles (EVs) by lung fibroblasts, which reduces the metastasis of salivary gland adenocystic carcinoma (SACC) to the lungs in mouse models, [1][2].
CAS Number
916734-43-5
UNSPSC
12352005
Target
Integrin
Type
Reference compound
Related Pathways
Cytoskeleton
Applications
Neuroscience-Neuromodulation
Field of Research
Cardiovascular Disease
Assay Protocol
https://www.medchemexpress.com/tc-i-15.html
Purity
99.94
Solubility
DMSO : 250 mg/mL (ultrasonic)
Smiles
O=[S](N(CSC(C)1C)[C@@H]1C(N[C@H](C(O)=O)CNC(NCC2=CC=CC=C2)=O)=O)(C3=CC=CC=C3)=O
Molecular Formula
C23H28N4O6S2
Molecular Weight
520.62
References & Citations
[1]Emma J. Hunter, Selectivity of the collagen-binding integrin inhibitors, TC-I-15 and obtustatin. Toxicol Appl Pharmacol. 2021 Oct 1;428:115669.|[2]Jing Kong, et al. Extracellular vesicles of carcinoma-associated fibroblasts creates a pre-metastatic niche in the lung through activating fibroblasts. Mol Cancer. 2019 Dec 3;18 (1) :175.
Shipping Conditions
Blue Ice
Storage Conditions
-20°C, 3 years (Powder)
Scientific Category
Reference compound1
Clinical Information
No Development Reported
Isoform
α1β1; α2β1

Chemical Information

N-[[(4R)-5,5-Dimethyl-3-(phenylsulfonyl)-4-thiazolidinyl]carbonyl]-3-[[[(phenylmethyl)amino]carbonyl]amino]-L-alanine
CAS Number916734-43-5
PubChem CID90488948
IUPAC Name(2S)-2-[[(4R)-3-(benzenesulfonyl)-5,5-dimethyl-1,3-thiazolidine-4-carbonyl]amino]-3-(benzylcarbamoylamino)propanoic acid
Molecular FormulaC23H28N4O6S2
Molecular Weight520.6
XLogP1.9
Topological Polar Surface Area179
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count8
Rotatable Bond Count9
Heavy Atom Count35
Formal Charge0
Complexity864
SMILES
CC1([C@H](N(CS1)S(=O)(=O)C2=CC=CC=C2)C(=O)N[C@@H](CNC(=O)NCC3=CC=CC=C3)C(=O)O)C
InChI
InChI=1S/C23H28N4O6S2/c1-23(2)19(27(15-34-23)35(32,33)17-11-7-4-8-12-17)20(28)26-18(21(29)30)14-25-22(31)24-13-16-9-5-3-6-10-16/h3-12,18-19H,13-15H2,1-2H3,(H,26,28)(H,29,30)(H2,24,25,31)/t18-,19+/m0/s1
InChIKey
XKLHCUGVLCGKKX-RBUKOAKNSA-N
Chemical Structure
2D Structure
2D structure of N-[[(4R)-5,5-Dimethyl-3-(phenylsulfonyl)-4-thiazolidinyl]carbonyl]-3-[[[(phenylmethyl)amino]carbonyl]amino]-L-alanine
CAS: 916734-43-5
CID: 90488948
Formula: C23H28N4O6S2
MW: 520.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight520.6
XLogP31.9
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count8
Rotatable Bond Count9
Exact Mass520.14502697
Monoisotopic Mass520.14502697
Topological Polar Surface Area179 Ų
Heavy Atom Count35
Formal Charge0
Complexity864
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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