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ML-T7

CAT: 0013-GTR19234962-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19234962-01Size:10 mg
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Description
ML-T7 is a potent Tim-3 inhibitor that blocks interactions with PtdSer and CEACAM1. It enhances the antitumor function of CTLs, CAR T cells, and NK cells in vitro and improves dendritic cell antigen presentation. This compound demonstrates efficacy in preclinical tumor models, supporting its investigation as a monotherapy or combined with checkpoint inhibitors like Nivolumab.
CAS Number
459789-75-4
Field of Research
Immunology & Inflammation
Smiles
O=C1C2 (C3C (C (O2) C4=CC=C (C) C=C4) C (=O) N (C3=O) C5=C (Cl) C=C (Cl) C=C5) C (=O) C=6C1=CC=CC6
Molecular Formula
C27H17Cl2NO5
Molecular Weight
506.33
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

5-(2,4-dichlorophenyl)-3-(4-methylphenyl)-3a,6a-dihydrospiro[furo[3,4-c]pyrrole-1,2'-indene]-1',3',4,6(3H,5H)-tetrone
CAS Number459789-75-4
PubChem CID3116616
IUPAC Name5-(2,4-dichlorophenyl)-1-(4-methylphenyl)spiro[3a,6a-dihydro-1H-furo[3,4-c]pyrrole-3,2'-indene]-1',3',4,6-tetrone
Molecular FormulaC27H17Cl2NO5
Molecular Weight506.3
XLogP4.7
Topological Polar Surface Area80.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Heavy Atom Count35
Formal Charge0
Complexity922
SMILES
CC1=CC=C(C=C1)C2C3C(C(=O)N(C3=O)C4=C(C=C(C=C4)Cl)Cl)C5(O2)C(=O)C6=CC=CC=C6C5=O
InChI
InChI=1S/C27H17Cl2NO5/c1-13-6-8-14(9-7-13)22-20-21(26(34)30(25(20)33)19-11-10-15(28)12-18(19)29)27(35-22)23(31)16-4-2-3-5-17(16)24(27)32/h2-12,20-22H,1H3
InChIKey
OFJOQMMYCMPPEC-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 5-(2,4-dichlorophenyl)-3-(4-methylphenyl)-3a,6a-dihydrospiro[furo[3,4-c]pyrrole-1,2'-indene]-1',3',4,6(3H,5H)-tetrone
CAS: 459789-75-4
CID: 3116616
Formula: C27H17Cl2NO5
MW: 506.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight506.3
XLogP34.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Exact Mass505.0483780
Monoisotopic Mass505.0483780
Topological Polar Surface Area80.8 Ų
Heavy Atom Count35
Formal Charge0
Complexity922
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count3
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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