Products for Research Use Only
RegisterLogin

17-Demethoxy-reblastatin

CAT: 0931-T200152-01Size: 100 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0931-T200152-01Size:100 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
299173-64-1
Target
HSP, Apoptosis
Related Pathways
Cytoskeletal Signaling, Apoptosis, Metabolism
Bioactivity
17-Demethoxy-reblastatin (17-DR) acts as an inhibitor of heat shock protein 90 (Hsp90) . It suppresses the proliferation of HepG2 and SMMC7721 cancer cells, diminishes colony formation, and triggers apoptosis via a mitochondria and caspase-mediated pathway.
Smiles
CO[C@H]1CC\C=C(C)/C(=O)NC2=CC(C[C@@H](C)C[C@H](OC)[C@H](O)[C@@H](C)\C=C(C)\[C@H]1OC(N)=O)=CC(O)=C2
Molecular Formula
C28H42N2O7
Molecular Weight
518.64
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

[(4Z,8S,9R,10E,12S,13R,14S,16R)-13,20-dihydroxy-8,14-dimethoxy-4,10,12,16-tetramethyl-3-oxo-2-azabicyclo[16.3.1]docosa-1(21),4,10,18(22),19-pentaen-9-yl] carbamate
CAS Number299173-64-1
PubChem CID176419166
IUPAC Name[(4Z,8S,9R,10E,12S,13R,14S,16R)-13,20-dihydroxy-8,14-dimethoxy-4,10,12,16-tetramethyl-3-oxo-2-azabicyclo[16.3.1]docosa-1(21),4,10,18(22),19-pentaen-9-yl] carbamate
Molecular FormulaC28H42N2O7
Molecular Weight518.6
XLogP3.2
Topological Polar Surface Area140
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count7
Rotatable Bond Count4
Heavy Atom Count37
Formal Charge0
Complexity814
SMILES
C[C@H]1C[C@@H]([C@@H]([C@H](/C=C(/[C@H]([C@H](CC/C=C(\C(=O)NC2=CC(=CC(=C2)C1)O)/C)OC)OC(=O)N)\C)C)O)OC
InChI
InChI=1S/C28H42N2O7/c1-16-10-20-13-21(15-22(31)14-20)30-27(33)17(2)8-7-9-23(35-5)26(37-28(29)34)19(4)12-18(3)25(32)24(11-16)36-6/h8,12-16,18,23-26,31-32H,7,9-11H2,1-6H3,(H2,29,34)(H,30,33)/b17-8-,19-12+/t16-,18+,23+,24+,25-,26-/m1/s1
InChIKey
HUXWGTSMSXMDBH-SGALJQKNSA-N
Chemical Structure
2D Structure
2D structure of [(4Z,8S,9R,10E,12S,13R,14S,16R)-13,20-dihydroxy-8,14-dimethoxy-4,10,12,16-tetramethyl-3-oxo-2-azabicyclo[16.3.1]docosa-1(21),4,10,18(22),19-pentaen-9-yl] carbamate
CAS: 299173-64-1
CID: 176419166
Formula: C28H42N2O7
MW: 518.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight518.6
XLogP33.2
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count7
Rotatable Bond Count4
Exact Mass518.29920168
Monoisotopic Mass518.29920168
Topological Polar Surface Area140 Ų
Heavy Atom Count37
Formal Charge0
Complexity814
Isotope Atom Count0
Defined Atom Stereocenter Count6
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count2
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
T125427-01Reblastatin
TMIH-0181-01Demethoxy Curcumin-d4
TN3818Demethoxy-7-O-methylcapillarisin
TN31576-Demethoxy-9'-deoxycleomiscosin A
T209289-01Demethoxy-BODIPY TMR NHS ester
T6S1688-01(1E,6E) -Bis (demethoxy) curcumin
TYD-04201-0117β-Carboxy-17-desoxydexamethasone
T131619-0117-methylandrostane-3,6,17-triol
TMIJ-0196-0117β-Estradiol-16,16,17-d3
T3691317-Epiestriol

Alternative Products

CatalogName
HY-16437217-Demethoxy-reblastatin
MBS5790905Reblastatin
MBS6036705-0117-N-(2-Dimethylaminoethylamino)-17-demethoxy Geldanamycin Hydrochloride
TRC-D470932-25MG17-N-(2-Dimethylaminoethylamino)-17-demethoxy Geldanamycin-d6
01037117-N- (2-Dimethylaminoethylamino) -17-demethoxy Geldanamycin Hydrochloride
sc-49933317-N- (2-Dimethylaminoethylamino) -17-demethoxy Geldanamycin-d6
TBW00424Demethoxy curcumin
AR-R01230-01Demethoxy Rapamycin
TD032194Demethoxy yangonin
ESS0442-01Cisapride Demethoxy

Popular Products