Drug Information
| Drug General Information | Top | |||
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| Drug ID |
D06MKE
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| Former ID |
DNC009052
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| Drug Name |
CRX-526
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| Synonyms |
CRX-526; UNII-8NLO017HHA; 8NLO017HHA; CHEMBL505526; BDBM50275658; 245515-64-4; Hexanoic acid, (1R)-1-(2-(((1S)-1-carboxy-2-((2-deoxy-3-O-((3R)-1-oxo-3-((1-oxohexyl)oxy)tetradecyl)-2-(((3R)-1-oxo-3-((1-oxohexyl)oxy)tetradecyl)amino)-4-O-phosphono-beta-D-glucopyranosyl)oxy)ethyl)amino)-2-oxoethyl)dodecyl ester; N-[(3R)-3-(Hexanoyloxy)myristoyl]-O-[2-[[(3R)-3-(hexanoyloxy)myristoyl]amino]-3-O-[(3R)-3-(hexanoyloxy)myristoyl]-4-O-phosphono-2-deoxy-beta-D-glucopyranosyl]-L-serine
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| Indication | Discovery agent [ICD-11: N.A.] | Investigative | [1] | |
| Structure |
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Download2D MOL |
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| Formula |
C69H127N2O19P
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| Canonical SMILES |
CCCCCCCCCCCC(CC(=O)NC1C(C(C(OC1OCC(C(=O)O)NC(=O)CC(CCCCCCCCCCC)OC(=O)CCCCC)CO)OP(=O)(O)O)OC(=O)CC(CCCCCCCCCCC)OC(=O)CCCCC)OC(=O)CCCCC
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| InChI |
1S/C69H127N2O19P/c1-7-13-19-22-25-28-31-34-40-43-54(85-61(75)46-37-16-10-4)49-59(73)70-57(68(79)80)53-84-69-65(71-60(74)50-55(86-62(76)47-38-17-11-5)44-41-35-32-29-26-23-20-14-8-2)67(66(58(52-72)88-69)90-91(81,82)83)89-64(78)51-56(87-63(77)48-39-18-12-6)45-42-36-33-30-27-24-21-15-9-3/h54-58,65-67,69,72H,7-53H2,1-6H3,(H,70,73)(H,71,74)(H,79,80)(H2,81,82,83)/t54-,55-,56-,57+,58-,65-,66-,67-,69-/m1/s1
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| InChIKey |
PRIXXGNJDNLMBH-DPGPRPECSA-N
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| CAS Number |
CAS 245515-64-4
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| PubChem Compound ID | ||||
| References | Top | |||
|---|---|---|---|---|
| REF 1 | The 'Ethereal' nature of TLR4 agonism and antagonism in the AGP class of lipid A mimetics. Bioorg Med Chem Lett. 2008 Oct 15;18(20):5350-4. | |||
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