Payload Information

General Information of This Payload
Payload ID
PAY0YXMEM
Name
Fluticasone propionate
Synonyms
FLUTICASONE PROPIONATE; Flovent; 80474-14-2; Cutivate; Flixotide; Flonase; Flixonase; Flovent HFA; Flusonal; Fluspiral; Flunase; Flutide; atemur; Asmatil; Axotide; Brethal; Fluinol; Flutivate; Flixotide Disk; Flixotide Disks; Flovent Diskus; Flovent Diskus 50; Flixotide Inhaler; Flovent Diskus 100; Flovent Diskus 250; Cultivate; Inalacor; Rinosone; Trialona; Ubizol; Zoflut; Flixonase Nasal Spray; Flonase Aq; Fluticasonpropionat Allen; Xhance; Flovent-hfa; CCI-18781; ArmonAir RespiClick; CCI 18781; Fluticasone (propionate); C25H31F3O5S; UNII-O2GMZ0LF5W; Fluticasone-17-propionate; O2GMZ0LF5W; cci18781; Fluticasone propionate [USAN]; ArmonAir RespiClickTM; DTXSID8045511; CHEBI:31441; Flonase Allergy Relief; NSC-759889; Fluticasone propionate (Flonase, Veramyst); PF-00241939; DTXCID801476602; Fluticasone propionate [USAN:USP]; NSC 759889; fluticasone proprionate; fluticasone 17-propionate; MFCD00866007; ADVAIR COMPONENT FLUTICASONE PROPIONATE; DYMISTA COMPONENT FLUTICASONE PROPIONATE; ADVAIR HFA COMPONENT FLUTICASONE PROPIONATE; FLUTICASONE PROPIONATE COMPONENT OF ADVAIR; FLUTICASONE PROPIONATE COMPONENT OF DYMISTA; LIPO-102 COMPONENT FLUTICASONE PROPIONATE; Androsta-1,4-diene-17-carbothioic acid, 6,9-difluoro-11-hydroxy-16-methyl-3-oxo-17-(1-oxopropoxy)-, (6alpha,11beta,16alpha,17alpha)-S-(fluoromethyl) ester; S-(Fluoromethyl) 6alpha,9-difluoro-11beta,17-dihydroxy-16alpha-methyl-3-oxoandrosta-1,4-diene-17beta-carbothioate, 17-propionate; FLUTICASONE PROPIONATE COMPONENT OF ADVAIR HFA; AIRDUO RESPICLICK COMPONENT FLUTICASONE PROPIONATE; FLUTICASONE PROPIONATE COMPONENT OF AIRDUO RESPICLICK; FLUTICASONE PROPIONATE (MART.); FLUTICASONE PROPIONATE [MART.]; FLUTICASONE PROPIONATE (USP-RS); FLUTICASONE PROPIONATE [USP-RS]; [(6S,8S,9R,10S,11S,13S,14S,16R,17R)-6,9-difluoro-17-(fluoromethylsulfanylcarbonyl)-11-hydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] propanoate; FLUTICASONE PROPIONATE (EP MONOGRAPH); FLUTICASONE PROPIONATE [EP MONOGRAPH]; FLUTICASONE PROPIONATE (USP MONOGRAPH); FLUTICASONE PROPIONATE [USP MONOGRAPH]; Propionate, Fluticasone; Fluxonal; Skyron; C25-H31-F3-O5-S; Flovent Rotadisk; CCI-187881; NCGC00016943-01; Cutivate (TN); 6alpha,9-difluoro-17beta-(((fluoromethyl)sulfanyl)carbonyl)-11beta-hydroxy-16-methyl-3-oxoandrosta-1,4-dien-17alpha-yl propanoate; 6alpha,9-difluoro-17beta-{[(fluoromethyl)sulfanyl]carbonyl}-11beta-hydroxy-16-methyl-3-oxoandrosta-1,4-dien-17alpha-yl propanoate; Flonase (TN); Flovent (TN); CAS-80474-14-2; fluticasone-propionate; ARMONAIR DIGIHALER; Prestwick0_000997; Prestwick1_000997; Prestwick2_000997; Prestwick3_000997; SCHEMBL4068; CHEMBL1473; BSPBio_001093; MLS001424085; Fluticasone propionate- Bio-X; SPBio_002984; BPBio1_001203; GTPL7080; WMWTYOKRWGGJOA-CENSZEJFSA-N; Fluticasone propionate (JAN/USP); FN-25; HMS1571G15; HMS2051N19; HMS2098G15; HMS3413A19; HMS3677A19; HMS3715G15; FLUTICASONE PROPIONATE [MI]; AMY38235; HY-B0154; YMB56612; FLUTICASONE PROPIONATE [JAN]; Tox21_110698; AC-457; BDBM50354849; HB1091; s1992; FLUTICASONE PROPIONATE [VANDF]; AKOS015895220; Tox21_110698_1; CCG-100981; CS-1986; DB00588; FLUTICASONE PROPIONATE [WHO-DD]; KS-1173; NC00231; NCGC00179308-01; NCGC00179308-04; NCGC00179308-05; BF160362; BF161262; LS-19323; SMR000469159; FLUTICASONE PROPIONATE [ORANGE BOOK]; AB00513992; A51110; D01708; AB00513992-06; AB00513992_08; EN300-7480904; Fluticasone propionate - micronised pharma grade; Fluticasone propionate, >=98% (HPLC), powder; AN-584/43505443; SR-01000763355; Q-101393; Q8564098; SR-01000763355-3; BRD-K62310379-001-03-0; Fluticasone propionate 100 microg/mL in Acetonitrile; Fluticasone 17(2)-Carbonylsulfenic Acid 17-Propionate; Fluticasone propionate, European Pharmacopoeia (EP) Reference Standard; Fluticasone propionate, United States Pharmacopeia (USP) Reference Standard; Fluticasone Propionate, Pharmaceutical Secondary Standard; Certified Reference Material; (1R,2R,3aS,3bS,5S,9aS,9bR,10S,11aS)-5,9b-difluoro-1-{[(fluoromethyl)sulfanyl]carbonyl}-10-hydroxy-2,9a,11a-trimethyl-7-oxo-1H,2H,3H,3aH,3bH,4H,5H,7H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl propanoate; (1R,2S,8S,10S,11S,13R,14R,15S,17S)-1,8-difluoro-14-{[(fluoromethyl)sulfanyl]carbonyl}-17-hydroxy-2,13,15-trimethyl-5-oxotetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadeca-3,6-dien-14-yl propanoate; (6?,11?,16?,17?)-6,9-Difluoro-11-hydroxy-16-methyl-3-oxo-17-(1-oxopropoxy)androsta-1,4-diene-17-carbothioic acid fluoromethyl ester; (6alpha,11beta,16alpha,17alpha)-6,9-Difluoro-11-hydroxy-16-methyl-3-oxo-17-(1-oxopropoxy)androsta-1,4-diene-17-carbothioic acid fluoromethyl ester; (6alpha,11beta,16alpha,17alpha)-6,9-Difluoro-11-hydroxy-16-methyl-3-oxo-17-(1-oxopropoxy)androsta-1,4-diene-17-carbothioic Acid, S-(Fluoromethyl) Ester; ANDROSTA-1,4-DIENE-17-CARBOTHIOIC ACID, 6,9-DIFLUORO-11-HYDROXY-16-METHYL-3-OXO-17-(1-OXOPROPOXY)-, (6.ALPHA.,11.BETA.,16.ALPHA.,17.ALPHA.)-S-(FLUOROMETHYL) ESTER; Androsta-1,4-diene-17-carbothioic acid, 6,9-difluoro-11-hydroxy-16-methyl-3-oxo-17-(1-oxopropoxy)-, S-(fluoromethyl) ester, (6-alpha,11-beta,16-alpha,17-alpha)-; Androsta-1,4-diene-17-carbothioic acid, 6,9-difluoro-11-hydroxy-16-methyl-3-oxo-17-(1-oxopropoxy)-,S-(fluoromethyl) ester, (6.alpha.,11.beta.,16.alpha.,17.alpha.)-; Fluticasone propionate for impurity C identification, EuropePharmacopoeia (EP) Reference Standard; Fluticasone propionate for impurity G identification, EuropePharmacopoeia (EP) Reference Standard; S-FLUOROMETHYL 6.ALPHA., 9.ALPHA.-DIFLUORO-11.BETA.-HYDROXY-16.ALPHA.-METHYL-3-OXO-17.ALPHA.-PROPIONYLOXYANDROSTA-1,4-DIENE-17.BETA-. CARBOTHIOATE; S-FLUOROMETHYL 6alpha, 9alpha-DIFLUORO-11beta-HYDROXY-16alpha-METHYL-3-OXO-17alpha-PROPIONYLOXYANDROSTA-1,4-DIENE-17.BETA-. CARBOTHIOATE; S-Fluoromethyl 6alpha,9alpha-difluoro-11beta-hydroxy-16alpha-methyl-3-oxo-17alpha-propionyloxyandrost-1,4-diene-17beta-carbothioate
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Target(s) Glucocorticoid receptor (NR3C1)
 Target Info 
Structure
Formula
C25H31F3O5S
Isosmiles
CCC(=O)O[C@@]1([C@@H](C[C@@H]2[C@@]1(C[C@@H]([C@]3([C@H]2C[C@@H](C4=CC(=O)C=C[C@@]43C)F)F)O)C)C)C(=O)SCF
PubChem CID
444036
InChI
InChI=1S/C25H31F3O5S/c1-5-20(31)33-25(21(32)34-12-26)13(2)8-15-16-10-18(27)17-9-14(29)6-7-22(17,3)24(16,28)19(30)11-23(15,25)4/h6-7,9,13,15-16,18-19,30H,5,8,10-12H2,1-4H3/t13-,15+,16+,18+,19+,22+,23+,24+,25+/m1/s1
InChIKey
WMWTYOKRWGGJOA-CENSZEJFSA-N
IUPAC Name
[(6S,8S,9R,10S,11S,13S,14S,16R,17R)-6,9-difluoro-17-(fluoromethylsulfanylcarbonyl)-11-hydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] propanoate
Pharmaceutical Properties
Molecule Weight
500.6
Polar area
106
Complexity
984
xlogp Value
4
Heavy Count
34
Rot Bonds
6
Hbond acc
9
Hbond Donor
1
The activity data of This Payload
Standard Type Value Units Cell line Disease Model Cell line ID Reference
Maximal Effective Concentration (Emax) 110 %
H4-II-E cells
Rat hepatocellular carcinoma
CVCL_0284 
[1]
Maximal Effective Concentration (Emax) 113 %
Hep-G2 cells
Hepatoblastoma
CVCL_0027 
[1]
Half Maximal Effective Concentration (EC50) 3 ug
Neutrophil cells
Normal
Undisclosed [2]
Maximal Effective Concentration (Emax) 99 %
NCI-H292 cells
Lung mucoepidermoid carcinoma
CVCL_0455 
[1]
Half Maximal Inhibitory Concentration (IC50) 0.075 nM
NCI-H292 cells
Lung mucoepidermoid carcinoma
CVCL_0455 
[1]
Half Maximal Inhibitory Concentration (IC50) 0.1 nM
Peripheral blood mononuclear cells
Normal
Undisclosed [2]
Half Maximal Effective Concentration (EC50) 0.1 nM
H4-II-E cells
Rat hepatocellular carcinoma
CVCL_0284 
[3]
Half Maximal Effective Concentration (EC50) 0.7 nM
Hep-G2 cells
Hepatoblastoma
CVCL_0027 
[1]
Half Maximal Effective Concentration (EC50) 0.76 nM
H4-II-E cells
Rat hepatocellular carcinoma
CVCL_0284 
[1]
Half Maximal Effective Concentration (EC50) 1.09 nM
SW1353 cells
Bone chondrosarcoma
CVCL_0543 
[2]
Half Maximal Inhibitory Concentration (IC50) >19952.62 nM
Vero C1008 cells
Normal
CVCL_0574 
[4]
Half Maximal Inhibitory Concentration (IC50) >20000 nM
Vero C1008 cells
Normal
CVCL_0574 
[4]
Half Maximal Inhibitory Concentration (IC50) 3290 nM
HCT-8 cells
Ileocecal adenocarcinoma
CVCL_2478 
[5]
Each Antibody-drug Conjugate Related to This Payload
References
Ref 1 Steroidal C-21 mercapto derivatives as dissociated steroids: discovery of an inhaled dissociated steroid. Bioorg Med Chem Lett. 2011 Nov 1;21(21):6343-7. doi: 10.1016/j.bmcl.2011.08.108. Epub 2011 Aug 31.
Ref 2 Design and synthesis of long acting inhaled corticosteroids for the treatment of asthma. Bioorg Med Chem Lett. 2011 Oct 1;21(19):5826-30. doi: 10.1016/j.bmcl.2011.07.106. Epub 2011 Aug 11.
Ref 3 Anti-inflammatory 17beta-thioalkyl-16alpha,17alpha-ketal and -acetal androstanes: a new class of airway selective steroids for the treatment of asthma. J Med Chem. 1996 Dec 6;39(25):4888-96. doi: 10.1021/jm9604639.
Ref 4 Screening of ~5500 FDA-approved drugs and clinical candidates for anti-SARS-CoV-2 activity.
Ref 5 Synthesis and biological evaluation of novel 3'-N-tert-butylsulfonyl analogues of docetaxel. Bioorg Med Chem Lett. 2008 Sep 1;18(17):4783-5. doi: 10.1016/j.bmcl.2008.07.101. Epub 2008 Jul 29.

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