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ML-T7

CAT: 0931-T86911-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0931-T86911-01Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
459789-75-4
Target
Immunology/Inflammation related
Related Pathways
Immunology/Inflammation
Bioactivity
ML-T7, a powerful inhibitor of Tim-3, effectively disrupts its interactions with PtdSer and CEACAM1. This compound enhances the antitumor activity of adoptive transfer therapy involving cytotoxic T lymphocytes (CTLs) and CAR T cells, while also boosting T cell effector functions. Additionally, ML-T7 augments the killing activity of NK cells against tumor cells and improves the antigen-presenting capacity of dendritic cells (DCs) . Demonstrating antitumor efficacy in preclinical models, ML-T7 shows potential either as a standalone treatment or in combination with Nivolumab for tumor immunotherapy research [1].
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
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

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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