Basic information
- CAS
125228-51-5- Standard SMILES
CCC(C)CC1CCC(O)(C(C)(O)C(=O)NC2C(=O)N3NCCCC3C(=O)N(O)C(C)C(=O)NCC(=O)N3NCCCC3C(=O)N(O)C(C)C(=O)OC2C(C)C)OC1C- InChIKey
ZJZOPNINWIGNQW-UHFFFAOYSA-N- Molecular formula
- C38H64N8O13
- Average molar mass
- 841 g/mol
- Monoisotopic mass
- 840.45928411
Overview
L 156602 is a cyclodepsipeptide.
Names & identifiers
- Preferred name
- PD 124966
- IUPAC
- N-(7,21-dihydroxy-6,20-dimethyl-2,5,8,15,19,22-hexaoxo-17-propan-2-yl-18-oxa-1,4,7,13,14,21,27-heptazatricyclo[21.4.0.09,14]heptacosan-16-yl)-2-hydroxy-2-[2-hydroxy-6-methyl-5-(2-methylbutyl)oxan-2-yl]propanamide
- English name
- L 156602
- Molecular formula
- C38H64N8O13
- Molecular weight
- 840.96
Names & synonyms
PD 124966PD-124966RefChem:928659107231-21-0125228-51-5N-(7,21-Dihydroxy-6,20-dimethyl-2,5,8,15,19,22-hexaoxo-17-propan-2-yl-18-oxa-1,4,7,13,14,21,27-heptazatricyclo[21.4.0.09,14]heptacosan-16-yl)-2-hydroxy-2-[2-hydroxy-6-methyl-5-(2-methylbutyl)oxan-2-yl]propanamideorb1692182SCHEMBL1569330CHEBI:201537DTXSID201365425AKOS040756308DA-54729
Show more names
Antibiotic L 16602Antibiotic L 156602ZJZOPNINWIGNQW-UHFFFAOYSA-N3-{7-[(2-{[(octadecylcarbamoyl)oxy]methyl}prop-2-en-1-yl)oxy]-7-oxoheptyl}-1,3-thiazol-3-ium bromideD-Alanine, (3S)-3-hydroxy-N-[(2S)-2-hydroxy-1-oxo-2-[(2R,5R,6R)-tetrahydro-2-hydroxy-6-methyl-5-[(2S)-2-methylbutyl]-2H-pyran-2-yl]propyl]-L-leucyl-(3R)-hexahydro-3-pyridazinecarbonyl-N-hydroxy-L-alanylglycyl-(3S)-hexahydro-3-pyridazinecarbonyl-N-hydroxy-, (6→13)-lactone
l156602T38244D-Alanine, (3S)-3-hydroxy-N-[(2S)-2-hydroxy-1-oxo-2-[(2R,5R,6R)-tetrahydro-2-hydroxy-6-methyl-5-[(2S)-2-methylbutyl]-2H-pyran-2-yl]propyl]-L-leucyl-(3R)-hexahydro-3-pyridazinecarbonyl-N-hydroxy-L-alanylglycyl-(3S)-hexahydro-3-pyridazinecarbonyl-N-hydroxy-, (6a13)-lactone
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 280 Ų
- Hydrogen bond donors
- 8
- Hydrogen bond acceptors
- 15
- Rotatable bonds
- 7
- Heavy atoms
- 59
- Formal charge
- 0
- Complexity
- 1,590
Physicochemical properties
- Density
- 1.37 · 1.37±0.1 g/cm3(Predicted)
- storage temp.
- -20 °C · Store at -20°C
- solubility
- DMF: soluble; DMSO: soluble; Ethanol: soluble
- form
- A solid
- pka
- 8.47 · 8.47±0.70(Predicted)
Chemistry & industry
Applications
DescriptionPD 124966 is a potent antitumor agent isolated from Streptomyces sp.; a cyclic hexadepsipeptide; antagonist of complement 5A.
UsesL-156602 is a C5a receptor antagonist. L-156602 inhibits inflammation, and the migration of monocytes and neutrophils to the infiltrating site in mouse inflammatory models. L-156602 suppresses the efferent phase of delayed-type hypersensitivity (DTH)[1][2].
Suppliers10 total
上海赛可锐生物科技有限公司021-58000709 13120558703 · [email protected]
孟成科技（上海）有限公司400-820-6829 · [email protected]
上海维亦特生物科技有限公司15317051735 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
斯派螺（武汉）药物研发有限公司[email protected]
BOC Sciences16314854226; +8616314854226 · [email protected]
上海一飞生物科技有限公司021-65675885 18964387627 · [email protected]
上海源叶生物科技有限公司18916372613 · [email protected]
ChemeGen 中国18818260767 · [email protected]
TargetMol中国（陶术生物）15002134094 · [email protected]
Related reactions
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Compound notes
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