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MK-0812 Succinate

CAT: 0013-GTR19174574-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19174574-02Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
MK-0812 Succinate
CAS Number
851916-42-2
Product Name Alternative
Inhibitor, MCP-1, inhibit, MK 0812, MK 0812 Succinate, MK0812, MK-0812, MK0812 Succinate, MK-0812 Succinate, CC chemokine receptor, CCR2, CCR
Field of Research
Immunology & Inflammation, Infectious Disease & Virology, Pharmacology & Drug Discovery
Purity
98.62% (May vary between batches)
Solubility
DMSO:28 mg/mL (47.65 mM) ;10% DMSO+40% PEG300+5% Tween 80+45% Saline:2 mg/mL (3.4 mM)
Smiles
OC (=O) CCC (O) =O.CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@] (C1) (C (C) C) C (=O) N1CCc2ncc (cc2C1) C (F) (F) F
Molecular Formula
C28H40F3N3O7
Molecular Weight
587.63
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

MK-0812 (Succinate)
CAS Number851916-42-2
PubChem CID11180807
IUPAC Namebutanedioic acid;[(1S,3R)-3-[[(3S,4S)-3-methoxyoxan-4-yl]amino]-1-propan-2-ylcyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone
Molecular FormulaC28H40F3N3O7
Molecular Weight587.6
Topological Polar Surface Area138
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count12
Rotatable Bond Count8
Heavy Atom Count41
Formal Charge0
Complexity784
SMILES
CC(C)[C@@]1(CC[C@H](C1)N[C@H]2CCOC[C@H]2OC)C(=O)N3CCC4=C(C3)C=C(C=N4)C(F)(F)F.C(CC(=O)O)C(=O)O
InChI
InChI=1S/C24H34F3N3O3.C4H6O4/c1-15(2)23(7-4-18(11-23)29-20-6-9-33-14-21(20)32-3)22(31)30-8-5-19-16(13-30)10-17(12-28-19)24(25,26)27;5-3(6)1-2-4(7)8/h10,12,15,18,20-21,29H,4-9,11,13-14H2,1-3H3;1-2H2,(H,5,6)(H,7,8)/t18-,20+,21-,23+;/m1./s1
InChIKey
WPPJJJUIDYHHSM-PXUYIWLPSA-N
Chemical Structure
2D Structure
2D structure of MK-0812 (Succinate)
CAS: 851916-42-2
CID: 11180807
Formula: C28H40F3N3O7
MW: 587.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight587.6
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count12
Rotatable Bond Count8
Exact Mass587.28183511
Monoisotopic Mass587.28183511
Topological Polar Surface Area138 Ų
Heavy Atom Count41
Formal Charge0
Complexity784
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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