17-AAG
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Category | Antibiotics |
Catalog number | BBF-04479 |
CAS | 75747-14-7 |
Molecular Weight | 585.69 |
Molecular Formula | C31H43N3O8 |
Purity | >98% |
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Description
17-AAG is an antibiotic with antineoplastic activity that inhibits heat shock protein 90 (HSP90). It was shown to induce apoptosis of mouse lymphoma cancer stem cells (CSCs) and human acute myeloid leukemia (AML) CSCs.
Specification
Related CAS | 911710-03-7 (hydrochloride) |
Synonyms | Tanespimycin; 17-Allylaminogeldanamycin; BAY 579352; 17-(Allylamino) Geldanamycin; 17-Demethoxy-17-(2-propenylamino)geldanamycin; 17-(Allylamino)-17-demethoxygeldanamycin; 17-Demethoxy-17-allylaminogeldanamycin; CP 127374; NSC 330507; Tanespimycin; 17AAG |
Storage | Store at -20°C |
IUPAC Name | [(4E,6Z,8S,9S,10E,12S,13R,14S,16R)-13-hydroxy-8,14-dimethoxy-4,10,12,16-tetramethyl-3,20,22-trioxo-19-(prop-2-enylamino)-2-azabicyclo[16.3.1]docosa-1(21),4,6,10,18-pentaen-9-yl] carbamate |
Canonical SMILES | CC1CC(C(C(C=C(C(C(C=CC=C(C(=O)NC2=CC(=O)C(=C(C1)C2=O)NCC=C)C)OC)OC(=O)N)C)C)O)OC |
InChI | InChI=1S/C31H43N3O8/c1-8-12-33-26-21-13-17(2)14-25(41-7)27(36)19(4)15-20(5)29(42-31(32)39)24(40-6)11-9-10-18(3)30(38)34-22(28(21)37)16-23(26)35/h8-11,15-17,19,24-25,27,29,33,36H,1,12-14H2,2-7H3,(H2,32,39)(H,34,38)/b11-9-,18-10+,20-15+/t17-,19+,24+,25+,27-,29+/m1/s1 |
InChI Key | AYUNIORJHRXIBJ-TXHRRWQRSA-N |
Source | Semisynthetic Derivate of Geldanamycin |
Properties
Appearance | Solid |
Antibiotic Activity Spectrum | Neoplastics (Tumor) |
Boiling Point | 797.8±60.0°C (Predicted) |
Melting Point | 205-210°C |
Flash Point | 436.3ºC |
Density | 1.21 g/cm3 |
Solubility | Soluble in DMSO, Ethanol |
LogP | 3.95760 |
Reference Reading
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Bio Calculators
* Our calculator is based on the following equation:
Concentration (start) x Volume (start) = Concentration (final) x Volume (final)
It is commonly abbreviated as: C1V1 = C2V2