Basic information
- CAS
603987-35-5- Standard SMILES
CCNc1cc(O)c2c(c1)/C=C/C[C@H](O)[C@H](O)C(=O)/C=C\[C@@H](C)[C@H](C)OC2=O- InChIKey
MWUFVYLAWAXDHQ-HMNLTAHHSA-N- Molecular formula
- C21H27NO6
- Average molar mass
- 389.4 g/mol
- Monoisotopic mass
- 389.18383758
Overview
E6201 has been investigated for the treatment of Chronic Plaque Psoriasis.
Names & identifiers
- Preferred name
- E-6201
- IUPAC
- (4S,5R,6Z,9S,10S,12E)-16-(ethylamino)-9,10,18-trihydroxy-4,5-dimethyl-3-oxabicyclo[12.4.0]octadeca-1(14),6,12,15,17-pentaene-2,8-dione
- English name
- ER-806201
- Molecular formula
- C21H27NO6
- Molecular weight
- 389.44
Names & synonyms
E6201603987-35-5E-6201CZP9GB25HOE 6201ER-8062011H-2-Benzoxacyclotetradecin-1,7(8H)-dione, 14-(ethylamino)-3,4,9,10-tetrahydro-8,9,16-trihydroxy-3,4-dimethyl-, (3S,4R,5Z,8S,9S,11E)-(4S,5R,6Z,9S,10S,12E)-16-ethylamino-9,10,18-trihydroxy-4,5-dimethyl-3-oxabicyclo(12.4.0)octadeca-1(14),6,12,15,17-pentaene-2,8-dione(4S,5R,6Z,9S,10S,12E)-16-ethylamino-9,10,18-trihydroxy-4,5-dimethyl-3-oxabicyclo[12.4.0]octadeca-1(14),6,12,15,17-pentaene-2,8-dioneRefChem:136143E6201 cpdMEK-1/MEKK-1 INHIBITOR E6201
Show more names
E 6201 (E6201)(2E,5S,6S,8Z,10R,11S)-17-(ethylamino)-5,6,15-trihydroxy-10,11-dimethyl-12-oxabicyclo[12.4.0]octadeca-1(18),2,8,14,16-pentaene-7,13-dione
(3S,4R,8S,9S)-14-(ethylamino)-8,9,16-trihydroxy-3,4-dimethyl-3,4,7,8,9,10-hexahydro-1H-2-benzoxacyclotetradecine-1,7-dioneUNII-CZP9GB25HO(3S,4R,5Z,8S,9S,11E)-14-(ethylamino)-8,9,16-trihydroxy-3,4-dimethyl-3,4,9,10-tetrahydro-1H-benzo[c][1]oxacyclotetradecine-1,7(8H)-dione(3S,4R,5Z,8S,9S,11E)-14-(Ethylamino)-8, 9,16-trihydroxy-3,4-dimethyl-3,4,9,19-tetrahydro-1H-2-benzoxacyclotetradecine-1,7(8H)-dione(4S,5R,6Z,9S,10S,12E)-16-(ethylamino)-9,10,18-trihydroxy-4,5-dimethyl-3-oxabicyclo[12.4.0]octadeca-1(14),6,12,15,17-pentaene-2,8-dioneER 806201(4~{S},5~{R},6~{Z},9~{S},10~{S},12~{E})-16-(ethylamino)-4,5-dimethyl-9,10,18-tris(oxidanyl)-3-oxabicyclo[12.4.0]octadeca-1(14),6,12,15,17-pentaene-2,8-dione1H-2-Benzoxacyclotetradecin-1,7(8H)-dione, 14-(ethylamino)-3,4,9,10-tetrahydro-8,9,16-trihydroxy-3,4-dimethyl-, (3S,4R,5Z,8S,9S,11E)-
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 116 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 2
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 604
Physicochemical properties
- Boiling point
- 680.4 · 680.4±55.0 °C(Predicted)
- Density
- 1.227 · 1.227±0.06 g/cm3(Predicted)
- pka
- 8.09 · 8.09±0.70(Predicted)
- FDA UNII
- 9 GB25HO · CZP9GB25HO
Chemistry & industry
Applications
UsesE 6201 was discovered to have anti-inflammatory activities on immune cells and antihyperproliferative activities in keratinocytes. It is a potential anti-inflammatory drug.
Suppliers8 total
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
上海喀露蓝科技有限公司18149758185 18149758185 · [email protected]
斯派螺（武汉）药物研发有限公司[email protected]
BOC Sciences16314854226; +8616314854226 · [email protected]
南通全益生物科技有限公司0513-66337626 18051384581 · [email protected]
TargetMol中国（陶术生物）4008200310 15002144251 · [email protected]
河北药成医药科技有限责任公司19903117510 19903117580 · [email protected]
南京世洲生物科技有限公司025-85560043 15850508050 · [email protected]
Related reactions
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Compound notes
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