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TREM2-IN-1

CAT: 0804-HY-160421-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-160421-01Size:1 mg
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Description
TREM2-IN-1 (OPA) is a TREM2 inhibitor derived from oxaliplatin and artesunate. TREM2-IN-1 can relieves immunosuppressive tumor microenvironment and enhancing chemical anticancer efficiency. TREM2-IN-1 deters the tumor growth in mice models bearing MC38 colorectal tumor by reducing the number of CD206+ and CX3CR1+ immunosuppressive macrophages. TREM2-IN-1 also promotes the expansion and infiltration of immunostimulatory dendritic, cytotoxic T and natural killer cells[1].
CAS Number
2000236-36-0
UNSPSC
12352005
Target
Apoptosis
Type
Reference compound
Related Pathways
Apoptosis
Applications
COVID-19-immunoregulation
Field of Research
Cancer; Inflammation/Immunology
Assay Protocol
https://www.medchemexpress.com/trem2-in-1.html
Concentration
10mM
Purity
99.34
Solubility
DMSO : 100 mg/mL (ultrasonic)
Smiles
O=C(O[C@@H]1[C@H](C)[C@@](CC[C@@H](C)[C@]2([H])CC[C@](OO3)(C)O4)([H])[C@@]23[C@]4([H])O1)CCC(O[Pt]5(OC6=O)(OC6=O)(OC(CCC(O[C@@H]7[C@H](C)[C@@](CC[C@@H](C)[C@]8([H])CC[C@]9(C)O%10)([H])[C@@]8(OO9)[C@]%10([H])O7)=O)=O)[NH2][C@H](CCCC%11)[C@@H]%11[NH2]5)=O
Molecular Formula
C46H68N2O20Pt
Molecular Weight
1164.12
References & Citations
[1]Yang T, et al. Platinum-Based TREM2 Inhibitor Suppresses Tumors by Remodeling the Immunosuppressive Microenvironment. Angew Chem Int Ed Engl. 2023 Jan 9;62 (2) :e202213337.
Shipping Conditions
Room Temperature
Storage Conditions
4°C (Powder, sealed storage, away from moisture and light)
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

cyclohexane-1,2-diamine;oxalate;bis(4-oxo-4-[[(1R,4S,5R,8S,9R,10S,12R,13R)-1,5,9-trimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecan-10-yl]oxy]butanoate);platinum(4+)
CAS Number2000236-36-0
PubChem CID176419014
IUPAC Namecyclohexane-1,2-diamine;oxalate;bis(4-oxo-4-[[(1R,4S,5R,8S,9R,10S,12R,13R)-1,5,9-trimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecan-10-yl]oxy]butanoate);platinum(4+)
Molecular FormulaC46H68N2O20Pt
Molecular Weight1164.1
Topological Polar Surface Area339
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count22
Rotatable Bond Count12
Heavy Atom Count69
Formal Charge0
Complexity1720
SMILES
C[C@@H]1CC[C@H]2[C@H]([C@@H](O[C@H]3[C@@]24[C@H]1CC[C@](O3)(OO4)C)OC(=O)CCC(=O)[O-])C.C[C@@H]1CC[C@H]2[C@H]([C@@H](O[C@H]3[C@@]24[C@H]1CC[C@](O3)(OO4)C)OC(=O)CCC(=O)[O-])C.C1CCC(C(C1)N)N.C(=O)(C(=O)[O-])[O-].[Pt+4]
InChI
InChI=1S/2C19H28O8.C6H14N2.C2H2O4.Pt/c2*1-10-4-5-13-11(2)16(23-15(22)7-6-14(20)21)24-17-19(13)12(10)8-9-18(3,25-17)26-27-19;7-5-3-1-2-4-6(5)8;3-1(4)2(5)6;/h2*10-13,16-17H,4-9H2,1-3H3,(H,20,21);5-6H,1-4,7-8H2;(H,3,4)(H,5,6);/q;;;;+4/p-4/t2*10-,11-,12+,13+,16-,17-,18-,19-;;;/m11.../s1
InChIKey
MQZOUVOOWQRZHH-LYSWAWEJSA-J
Chemical Structure
2D Structure
2D structure of cyclohexane-1,2-diamine;oxalate;bis(4-oxo-4-[[(1R,4S,5R,8S,9R,10S,12R,13R)-1,5,9-trimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecan-10-yl]oxy]butanoate);platinum(4+)
CAS: 2000236-36-0
CID: 176419014
Formula: C46H68N2O20Pt
MW: 1164.1
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight1164.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count22
Rotatable Bond Count12
Exact Mass1163.401337
Monoisotopic Mass1163.401337
Topological Polar Surface Area339 Ų
Heavy Atom Count69
Formal Charge0
Complexity1720
Isotope Atom Count0
Defined Atom Stereocenter Count16
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count5
Compound Is CanonicalizedYes

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