Compound Summary
Compound Information
Tanespimycin
Compound Name: | Tanespimycin |
Compound CID: | 6505803 |
Synonyms: | Tanespimycin 17-AAG 75747-14-7 17-(Allylamino)-17-demethoxygeldanamycin 17-(Allylamino)geldanamycin More... |
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 |
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 |
InChIKey: | AYUNIORJHRXIBJ-TXHRRWQRSA-N |
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 |
Isomeric Smiles: | C[C@H]1C[C@@H]([C@@H]([C@H](/C=C(/[C@@H]([C@H](/C=C\C=C(\C(=O)NC2=CC(=O)C(=C(C1)C2=O)NCC=C)/C)OC)OC(=O)N)\C)C)O)OC |
Molecular Weight: | 585.7 |
Molecular Formula: | C31H43N3O8 |
Compound Structure
2D Structure:
3D Structure:
Computed Properties
Tanespimycin
Molecular Weight: | 585.7 |
Molecular Formula: | C31H43N3O8 |
Hydrogen Bond Donor Count: | 4 |
Hydrogen Bond Acceptor Count: | 9 |
Rotatable Bond Count: | 7 |
Heavy Atom Count: | 42 |
Complexity: | 1210 |
Synonyms
Tanespimycin
| Tanespimycin | Tanespimycin |
|---|---|
Tanespimycin |
17-AAG |
75747-14-7 |
17-(Allylamino)-17-demethoxygeldanamycin |
17-(Allylamino)geldanamycin |
NSC-330507 |
17-Allylaminogeldanamycin |
KOS-953 |
Cp 127374 |
NSC 330507 |
17-Demethoxy-17-allylamino geldanamycin |
UNII-4GY0AVT3L4 |
17AAG |
CHEBI:64153 |
17-AAG (Tanespimycin) |
BMS-722782 |
4GY0AVT3L4 |
MFCD04973892 |
NCGC00163424-01 |
17-N-allylamino-17-demethoxygeldanamycin |
17-demethoxy-17-(2-propenylamino)geldanamycin |
(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-azabicyclo16.3.1docosa-1(21),4,6,10,18-pentaen-9-yl carbamate |
Geldanamycin, 17-demethoxy-17-(2-propenylamino)- |
NSC330507 |
(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-en-1-ylamino)-2-azabicyclo16.3.1docosa-1(21),4,6,10,18-pentaen-9-yl carbamate |
(3S,5S,6R,7S,8E,10R,11S,12E,14E)-6-Hydroxy-5,11-dimethoxy-3,7,9,15-tetramethyl-16,20,22-trioxo-21-(prop-2-enylamino)-17-azabicyclo16.3.1docosa-8,12,14,18,21-pentaen-10-yl carbamate |
Tanespimycin USAN:INN |
KOS 953 |
tanespimycina |
tanespimycine |
tanespimycinum |
CCRIS 9401 |
17-Demethoxy-17-allylaminogeldanamycin |
C31H43N3O8 |
Tanespimycin (USAN) |
Geldanamycin, 17-(Allylamino)-17-demethoxy- |
DSSTox_CID_26352 |
DSSTox_RID_81555 |
DSSTox_GSID_46352 |
BSPBio_001434 |
SCHEMBL2604976 |
DTXSID5046352 |
SCHEMBL13037468 |
SCHEMBL16226295 |
CHEBI:94756 |
CNF-101 |
CNF1010 |
HMS1361H16 |
HMS1791H16 |
HMS1989H16 |
HMS3402H16 |
(4E,6Z,8S,9S,10E,12S,13R,14S,16R)-19-(allylamino)-13-hydroxy-8,14-dimethoxy-4,10,12,16-tetramethyl-3,20,22-trioxo-2-azabicyclo16.3.1docosa-1(21),4,6,10,18-pentaen-9-yl carbamate |
CNF-1010 |
EX-A4668 |
NSC-330507D |
Tox21_112054 |
BDBM50008057 |
s1141 |
AKOS024456643 |
ZINC100014666 |
BCP9000064 |
CCG-208039 |
CS-0161 |
DB05134 |
NSC-704057 |
IDI1_033904 |
NCGC00163424-02 |
NCGC00163424-04 |
NCGC00163424-05 |
NCGC00163424-06 |
NCGC00163424-07 |
HY-10211 |
Geldanamycin, des-O-methyl-17-allylamino- |
CAS-75747-14-7 |
CP-127374 |
Geldanamycin, 17-allylamino-17-demethoxy- |
X7553 |
D06650 |
747A147 |
Geldanamycin,17-demethoxy-17-(2-propenylamino)- |
J-504153 |
BRD-K81473043-001-03-9 |
BRD-K81473043-001-08-8 |
17-(Allylamino)-17-demethoxygeldanamycin, >=98% (HPLC), solid |
(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-penten-9-yl carbamate |
(3R,5S,6R,7S,8E,10S,11S,12Z,14E)-21-(allylamino)-6-hydroxy-5,11-dimethoxy-3,7,9,15-tetramethyl-16,20,22-trioxo-17-azabicyclo16.3.1docosa-1(21),8,12,14,18-pentaen-10-yl carbamate |
17-AAG|||17-(Allylamino)-17-demethoxy-geldanamycin|||(3R,5S,6R,7S,8E,10S,11S,12Z,14E)-6-Hydroxy-5,11-dimethoxy-3,7,9,15-tetramethyl-16,20,22-trioxo-21-(prop-2-enylamino)-17-azabicyclo16.3.1docosa-1(21),8,12,14,18-pentaen-10-yl carbamate |
Experimental Data
Tanespimycin
| Species | Dosage | Unit | CG Lifespan(AVG/MED days) | TG Lifespan(AVG/MED days) | Lifespan Change(AVG/MED%) | CG Lifespan(MAX days) | TG Lifespan(MAX days) | Lifespan Change(MAX%) | Significant | Strain | Gender | PubMed | Active Label |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Caenorhabditis elegans | 25 | umol/L | 54.16 | S | N2 | 30970250 | Active | ||||||
| Caenorhabditis elegans | 100 | umol/L | Unclear | N2 | 33683565 | ||||||||
| Caenorhabditis elegans | 100 | umol/L | 17 | 21 | 0.24 | S | N2 | 30625143 | Active |
Experimental Data Visualization
Tanespimycin
Statistics Data
Tanespimycin
| Species | Lifespan Change(AVG/MED%) | Lifespan Change(MAX%) | Count Reference | Count Data point |
|---|---|---|---|---|
| Caenorhabditis elegans | 54.16 | 3 | 3 |
Statistics Data Visualization
Tanespimycin
