General Information of This Payload
Payload ID
PAY0LMGKV
Name
Vitamin D
Synonyms
Ergocalciferol; VITAMIN D2; Calciferol; Viosterol; 50-14-6; Ergorone; Deltalin; Ercalciol; Drisdol; Ostelin; Oleovitamin D2; Detalup; Sterogyl; Condocaps; Crystallina; Fortodyl; Mulsiferol; Radsterin; Condol; Deratol; Diactol; Ertron; Geltabs; Daral; Divit urto; Novovitamin-D; D-Tracetten; Hi-Deratol; Calciferon 2; Dee-Ronal; Vitavel-D; D-Arthin; Dee-Ron; Vio-D; Rodine C; Calciferolum; Hyperkil; Rodinec; Ergocalciferolum; Mina D2; Radiostol; VitaminD2; Mykostin; Davitin; Decaps; Infron; Metadee; Shock-ferol; Davitamon D; Dee-Osterol; Ergocalciferolo; Dee-Roual; Disdrol; Haliver; Buco-D; (+)-Vitamin D2; Geltabs Vitamin D; Irradiated ergosterol; Sorex C.R.; Oleovitamin D; HSDB 819; Ergocalciferolo [DCIT]; CHEBI:28934; C28H44O; Oleovitamin D, Synthetic; Uvesterol D; Vitamin d (ergocalciferol); Vitamina D2; EINECS 200-014-9; Irradiated ergosta-5,7,22-trien-3-beta-ol; UNII-VS041H42XC; Ergocalciferols; NSC 62792; Condacaps; Crtron; Ergocalciferolum [INN-Latin]; VS041H42XC; 9,10-Secoergosta-5,7,10(19),22-tetraen-3-beta-ol; Synthetic Vitamin D; NSC-62792; Doral [Vitamin Derivative]; Vitamin D2 (Ergocalciferol); (5Z,7E,22E)-(3S)-9,10-seco-5,7,10(19),22-ergostatetraen-3-ol; Radstein; Viostdrol; ERGOCALCIFEROL, (+)-; Uvesterol-D; DTXSID5020233; 9,10-Seco(5Z,7E,22E)-5,7,10(19),22-ergostatetraen-3-ol; vitamin d-2; (3-beta,5Z,7E,22E)-9,10-Secoergosta-5,7,10,(19),22-tetraen-3-ol; (3beta,5Z,7E,22E)-9,10-secoergosta-5,7,10(19),22-tetraen-3-ol; (5Z,7E,22E)-(3S)-9,10-secoergosta-5,7,10(19),22-tetraen-3-ol; Ergocalciferol [USP:INN:BAN:JAN]; Ergosterol irradiated; Shock-ferol sterogyl; MFCD00166988; (1S,3Z)-3-[(2E)-2-[(1R,3aS,7aR)-1-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexan-1-ol; Ergosterol, irradiated; 9,10-Secoergosta-5,7,10(19),22-tetraen-3-ol, (3b,5Z,7E,22E)-; 9,10-Secoergosta-5,7,10(19),22-tetraen-3-ol, (3.beta.,5Z,7E,22E)-; 9,10-Secoergosta-5,7,10(19),22-tetraen-3-ol, (3beta,5Z,7E,22E)-; Doral (Vitamin Derivative); ERGOCALCIFEROL (MART.); ERGOCALCIFEROL [MART.]; ERGOCALCIFEROL (USP-RS); Ergocalciferol [INN:BAN:JAN]; ERGOCALCIFEROL [USP-RS]; Calciferol (TN); Drisdol (TN); ERGOCALCIFEROL (EP IMPURITY); ERGOCALCIFEROL [EP IMPURITY]; Sorex C.R; (3S,5Z,7E,22E)-9,10-secoergosta-5,7,10(19),22-tetraen-3-ol; ERGOCALCIFEROL (EP MONOGRAPH); ERGOCALCIFEROL [EP MONOGRAPH]; ERGOCALCIFEROL (USP MONOGRAPH); ERGOCALCIFEROL [USP MONOGRAPH]; SMR000857106; Vitamin D 2; (3S,5Z,7E,22E)-9,10-secoergosta-5,7,10,22-tetraen-3-ol; DTXCID70233; Ergocalciferol; (Vitamin D2); Ergocalciferol [BAN:INN:JAN]; Osteil; delta-Tracetten; Lanes; NSC62792; delta-Arthin; beta-ol; C28-H44-O; vitaminum d2; D-forte; Eciferol D2; Ergoral D2; Sterogyl-15; Sterogyl 15H; Cyclohexanol, 4-methylene-3-((2E)-2-((1R,3aS,7aR)-octahydro-7a-methyl-1-((1R,2E,4R)-1,4,5-trimethyl-2-hexen-1-yl)-4H-inden-4-ylidene)ethylidene)-, (1S,3Z)-; Cyclohexanol, 4-methylene-3-[(2E)-2-[(1R,3aS,7aR)-octahydro-7a-methyl-1-[(1R,2E,4R)-1,4,5-trimethyl-2-hexen-1-yl]-4H-inden-4-ylidene]ethylidene]-, (1S,3Z)-; Prestwick_554; Vio D; Ergo-D2; Osto-D2; Prestwick3_000420; bmse000510; VITAMIN D2 [MI]; 7E677DC1-E1C4-4FC5-8F4A-BCE1857F7E87; VITAMIN D2 [FCC]; SCHEMBL3420; CHEMBL1536; ERGOCALCIFEROL [INN]; ERGOCALCIFEROL [JAN]; ergocalciferol; 50-14-6; BSPBio_000380; Ergocalciferol (JP17/USP); ERGOCALCIFEROL [HSDB]; ERGOCALCIFEROL [INCI]; MLS001332467; MLS001332468; ERGOCALCIFEROL [VANDF]; VITAMIN D2 [WHO-IP]; BPBio1_000418; MEGxm0_000466; ERGOCALCIFEROL [WHO-DD]; ERGOCALCIFEROL [WHO-IP]; (3-beta,5Z,7E,22E)-9,10-Secoergosta-5,7,10(19),22-tetraen-3-ol; ACon1_002187; A11CC01; (3S,5Z,7E,14xi,17alpha,22E)-9,10-secoergosta-5,7,10,22-tetraen-3-ol; MECHNRXZTMCUDQ-RKHKHRCZSA-N; HMS2096C22; HMS2230E20; Ciclohexanol, 4-metilen-3-[(2E)-2-[(1R, 3aS, 7aR)-octahidro-7a-metil-1-[(1R, 2E, 4R)-1,4,5-trimetil-2-hexen-1-il]-4H-inden-4-ilideno] etilideno]-, (1S, 3Z)-; CS-M1019; ERGOCALCIFEROL [ORANGE BOOK]; BDBM50247883; LMST03010001; s4035; Vitamin D2; Ergocalciferol; Deltalin; AKOS022185284; CCG-268614; DB00153; ERGOCALCIFEROLUM [WHO-IP LATIN]; LS-3228; Ergocalciferol, Sigma Reference Standard; NCGC00166307-02; NCGC00166307-03; AS-11649; BP-31119; Ergocalciferol (D2), analytical standard; HY-76542; Irradiated ergosta-5,7,22-trien-3beta-ol; Vitamin D2 Ergocalciferol 400,000 IU/g; Ergocalciferol, 40,000,000 USP units/g; C05441; D00187; EN300-21690916; Q139200; Q-201930; 9,10-Secoergosta-5,7,10(19),22-tetraen-3b-ol; Ergocalciferol, >=98.0% (sum of enantiomers, HPLC); 22-tetraen 3beta 9,10,Secoergosta-5,7,10(19)-ol; (5E,7E,22E)-9,10-Secoergosta-5,7,10,22-tetraen-3-ol; 9,10,SECOERGOSTA-5,7,10(19),22-TETRAEN 3-BETA-OL; Ergocalciferol, British Pharmacopoeia (BP) Reference Standard; Ergocalciferol, European Pharmacopoeia (EP) Reference Standard; Ergocalciferol, United States Pharmacopeia (USP) Reference Standard; 24-METHYL-9,10-SECOCHOLESTA-5,7,10(19),22-TETRAENE-3beta-OL; (3.BETA.,5Z,7E,22E)-9,10-SECOERGOSTA-5,7,10(19),22-TETRAEN-3-OL; 24-METHYL-9,10-SECOCHOLESTA-5,7,10( 19),22-TETRAENE-3.BETA.-OL [WHO-IP]; 9,10-SECOERGOSTA-5,7,10(19),22-TETRAEN-3-OL,(3-BETA,5Z,7E,22E)-; Ergocalciferol (Vitamin D2), Pharmaceutical Secondary Standard; Certified Reference Material; Ergocalciferol for system suitability, EuropePharmacopoeia (EP) Reference Standard; (1S,3Z)-3-[(2E)-2-[(1R,3aS,7aR)-7a-methyl-1-[(E,1R,4R)-1,4,5-trimethylhex-2-enyl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylene-cyclohexanol; (1S,3Z)-3-{2-[(1R,3aS,4E,7aR)-1-[(2R,3E,5R)-5,6-dimethylhept-3-en-2-yl]-7a-methyl-octahydro-1H-inden-4-ylidene]ethylidene}-4-methylidenecyclohexan-1-ol; 4-methylene-3-[2-[tetrahydro-7a-methyl-1-(1,4,5-trimethyl-2-hexenyl)-4(3aH)-indanylidene]ethylidene]-Cyclohexanol; Cycloheanol, 4-methylene-3-(2-(tetrahydro-7a-methyl-1-(1,4,5-trimethyl-2-hexenyl)-4(3aH)-indanylidene)ethylidene)-; CYCLOHEXANOL, 4-METHYLENE-3-(2-(TETRAHYDRO-7A-METHYL-1-(1,4,5-TRIMETHYL-2-HEXENYL)-4(3AH)-INDANYLIDENE)ETHYLIDENE)-
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Target(s) .
Structure
Formula
C28H44O
Isosmiles
C[C@H](/C=C/[C@H](C)C(C)C)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@H](CCC3=C)O)C
PubChem CID
5280793
InChI
InChI=1S/C28H44O/c1-19(2)20(3)9-10-22(5)26-15-16-27-23(8-7-17-28(26,27)6)12-13-24-18-25(29)14-11-21(24)4/h9-10,12-13,19-20,22,25-27,29H,4,7-8,11,14-18H2,1-3,5-6H3/b10-9+,23-12+,24-13-/t20-,22+,25-,26+,27-,28+/m0/s1
InChIKey
MECHNRXZTMCUDQ-RKHKHRCZSA-N
IUPAC Name
(1S,3Z)-3-[(2E)-2-[(1R,3aS,7aR)-1-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexan-1-ol
Pharmaceutical Properties
Molecule Weight
396.6
Polar area
20.2
Complexity
678
xlogp Value
7.4
Heavy Count
29
Rot Bonds
5
Hbond acc
1
Hbond Donor
1
The activity data of This Payload
Standard Type Value Units Cell line Disease Model Cell line ID Reference
Half Maximal Inhibitory Concentration (IC50) 21.5 nM
A2780-1A9 cells
Ovarian adenocarcinoma
CVCL_H619 
[1]
Each Antibody-drug Conjugate Related to This Payload
References
Ref 1 Evaluation of the tubulin-bound paclitaxel conformation: synthesis, biology, and SAR studies of C-4 to C-3' bridged paclitaxel analogues. J Med Chem. 2007 Feb 22;50(4):713-25. doi: 10.1021/jm061071x. Epub 2007 Jan 31.

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