Products for Research Use Only
RegisterLogin

21-Deacetoxy deflazacort

CAT: 0931-T201719-01Size: 10 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0931-T201719-01Size:10 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
13649-88-2
Target
Others, Glucocorticoid Receptor, E3 Ligase Ligand-Linker Conjugate
Related Pathways
Others, Endocrinology/Hormones, PROTAC
Bioactivity
21-Deacetoxy deflazacort is a dehydrogenated derivative of Deflazacort, which is a glucocorticoid. As an inactive precursor, Deflazacort rapidly converts into the active metabolite, 21-Desacetyldeflazacort. This compound serves as both an anti-inflammatory and immunosuppressive agent.
Smiles
C(C)(=O)[C@]12[C@]3(C)[C@@](C[C@]1(OC(C)=N2)[H])([C@]4([C@]([C@@H](O)C3)([C@]5(C)C(CC4)=CC(=O)C=C5)[H])[H])[H]
Molecular Formula
C23H29NO4
Molecular Weight
383.48
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

(4aR,4bS,5S,6aS,6bS,9aR,10aS,10bS)-6b-Acetyl-5-hydroxy-4a,6a,8-trimethyl-4a,4b,5,6,6a,6b,9a,10,10a,10b,11,12-dodecahydro-2H-naphtho[2',1':4,5]indeno[1,2-d][1,3]oxazol-2-one
CAS Number13649-88-2
PubChem CID29935081
IUPAC Name(1S,2S,4R,8S,9S,11S,12S,13R)-8-acetyl-11-hydroxy-6,9,13-trimethyl-5-oxa-7-azapentacyclo[10.8.0.02,9.04,8.013,18]icosa-6,14,17-trien-16-one
Molecular FormulaC23H29NO4
Molecular Weight383.5
XLogP2
Topological Polar Surface Area76
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count1
Heavy Atom Count28
Formal Charge0
Complexity872
SMILES
CC1=N[C@@]2([C@H](O1)C[C@@H]3[C@@]2(C[C@@H]([C@H]4[C@H]3CCC5=CC(=O)C=C[C@]45C)O)C)C(=O)C
InChI
InChI=1S/C23H29NO4/c1-12(25)23-19(28-13(2)24-23)10-17-16-6-5-14-9-15(26)7-8-21(14,3)20(16)18(27)11-22(17,23)4/h7-9,16-20,27H,5-6,10-11H2,1-4H3/t16-,17-,18-,19+,20+,21-,22-,23+/m0/s1
InChIKey
WQUXBQVUVGNOKK-AAZVSSJSSA-N
Chemical Structure
2D Structure
2D structure of (4aR,4bS,5S,6aS,6bS,9aR,10aS,10bS)-6b-Acetyl-5-hydroxy-4a,6a,8-trimethyl-4a,4b,5,6,6a,6b,9a,10,10a,10b,11,12-dodecahydro-2H-naphtho[2',1':4,5]indeno[1,2-d][1,3]oxazol-2-one
CAS: 13649-88-2
CID: 29935081
Formula: C23H29NO4
MW: 383.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight383.5
XLogP32
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count1
Exact Mass383.20965841
Monoisotopic Mass383.20965841
Topological Polar Surface Area76 Ų
Heavy Atom Count28
Formal Charge0
Complexity872
Isotope Atom Count0
Defined Atom Stereocenter Count8
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
T0485-01Deflazacort
TMID-0138-01Sodium Pregnenolone-17α,21,21,21-d4 Sulfate
TN280821-Episerratriol
T212275-01SOS1-IN-21
T211354-01Urease-IN-21
T209881-01FGFR4-IN-21
T206610-01QSY-21
T204570-01MAT2A-IN-21
T204504-01JNK-IN-21
T88204-01PARP1-IN-21

Alternative Products

CatalogName
sc-39735121-Deacetoxy Deflazacort
A13823-2521-Deacetoxy Deflazacort 25mg
A13823-5021-Deacetoxy Deflazacort 50mg
A13823-1021-Deacetoxy Deflazacort 10mg
HY-W74210321-Deacetoxy deflazacort-d3
HY-134520R21-Deacetoxy deflazacort (Standard)
TRC-D238660-100MG21-Deacetoxy-21-dimethoxy Deflazacort
TRC-D198002-1MG21-Deacetoxy Deflazacort-d3 (Major)
TRC-B219780-50MG9alpha-Bromo-21-deacetoxy Deflazacort
TRC-D198040-10MG21-Deacetoxy Deflazacort-3,20-hydrazinecarboxamide

Popular Products