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ML-T7

CAT: 0804-HY-163028-06Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-163028-06Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
ML-T7 is a potent Tim-3 inhibitor. ML-T7 blocks Tim-3 interactions with PtdSer and CEACAM1. ML-T7 not only enhances the antitumor activity of adoptive transfer therapy with cytotoxic T lymphocytes (CTLs) and CAR T cells but also increases the effector function of T cell. ML-T7 promotes NK cells’ killing activity against tumor cells and DC antigen-presenting capacity. ML-T7 directly exerts antitumor efficacy in preclinical tumor models either alone or in combination with Nivolumab. ML-T7 can be used for tumor immunotherapy research[1].
CAS Number
459789-75-4
UNSPSC
12352005
Target
Tim3
Type
Reference compound
Related Pathways
Immunology/Inflammation
Applications
Cancer-programmed cell death
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/ml-t7.html
Purity
99.93
Solubility
DMSO : 66.67 mg/mL (ultrasonic)
Smiles
O=C1C2=C(C(C13OC(C4C(N(C5=CC=C(C=C5Cl)Cl)C(C43)=O)=O)C6=CC=C(C)C=C6)=O)C=CC=C2
Molecular Formula
C27H17Cl2NO5
Molecular Weight
506.33
References & Citations
[1]Ma S, et al. Identification of a small-molecule Tim-3 inhibitor to potentiate T cell-mediated antitumor immunotherapy in preclinical mouse models. Sci Transl Med. 2023 Nov 15;15 (722) :eadg6752.
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Reference compound1
Clinical Information
No Development Reported

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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