Compound Summary
Compound Information
001, RAD
Compound Name: | 001, RAD |
Compound CID: | 6442177 |
Synonyms: | 001, RAD 40-O-(2-hydroxyethyl)-rapamycin 40-O-(2-Hydroxyethyl)rapamycin Afinitor Certican More... |
Iupac Name: | (1R,9S,12S,15R,16E,18R,19R,21R,23S,24E,26E,28E,30S,32S,35R)-1,18-dihydroxy-12-[(2R)-1-[(1S,3R,4R)-4-(2-hydroxyethoxy)-3-methoxycyclohexyl]propan-2-yl]-19,30-dimethoxy-15,17,21,23,29,35-hexamethyl-11,36-dioxa-4-azatricyclo[30.3.1.04,9]hexatriaconta-16,24,26,28-tetraene-2,3,10,14,20-pentone |
InChI: | InChI=1S/C53H83NO14/c1-32-16-12-11-13-17-33(2)44(63-8)30-40-21-19-38(7)53(62,68-40)50(59)51(60)54-23-15-14-18-41(54)52(61)67-45(35(4)28-39-20-22-43(66-25-24-55)46(29-39)64-9)31-42(56)34(3)27-37(6)48(58)49(65-10)47(57)36(5)26-32/h11-13,16-17,27,32,34-36,38-41,43-46,48-49,55,58,62H,14-15,18-26,28-31H2,1-10H3/b13-11+,16-12+,33-17+,37-27+/t32-,34-,35-,36-,38-,39+,40+,41+,43-,44+,45+,46-,48-,49+,53-/m1/s1 |
InChIKey: | HKVAMNSJSFKALM-GKUWKFKPSA-N |
Canonical Smiles: | CC1CCC2CC(C(=CC=CC=CC(CC(C(=O)C(C(C(=CC(C(=O)CC(OC(=O)C3CCCCN3C(=O)C(=O)C1(O2)O)C(C)CC4CCC(C(C4)OC)OCCO)C)C)O)OC)C)C)C)OC |
Isomeric Smiles: | C[C@@H]1CC[C@H]2C[C@@H](/C(=C/C=C/C=C/[C@H](C[C@H](C(=O)[C@@H]([C@@H](/C(=C/[C@H](C(=O)C[C@H](OC(=O)[C@@H]3CCCCN3C(=O)C(=O)[C@@]1(O2)O)[C@H](C)C[C@@H]4CC[C@H]([C@@H](C4)OC)OCCO)C)/C)O)OC)C)C)/C)OC |
Molecular Weight: | 958.2 |
Molecular Formula: | C53H83NO14 |
Compound Structure
2D Structure:
3D Structure:
Computed Properties
001, RAD
Molecular Weight: | 958.2 |
Molecular Formula: | C53H83NO14 |
Hydrogen Bond Donor Count: | 3 |
Hydrogen Bond Acceptor Count: | 14 |
Rotatable Bond Count: | 9 |
Heavy Atom Count: | 68 |
Complexity: | 1810 |
Synonyms
001, RAD
| 001, RAD | 001, RAD |
|---|---|
001, RAD |
40-O-(2-hydroxyethyl)-rapamycin |
40-O-(2-Hydroxyethyl)rapamycin |
Afinitor |
Certican |
Everolimus |
RAD |
RAD 001 |
RAD, SDZ |
RAD001 |
SDZ RAD |
SDZ-RAD |
Zortress |
159351-69-6 |
42-O-(2-Hydroxyethyl)rapamycin |
Votubia |
Afinitor Disperz |
CHEBI:68478 |
RAD-001 |
Rapamycin, 42-O-(2-hydroxyethyl)- |
UNII-9HW64Q8G6G |
9HW64Q8G6G |
NCGC00167512-01 |
(3S,6R,7E,9R,10R,12R,14S,15E,17E,19E,21S,23S,26R,27R,34aS)-9,27-dihydroxy-3-{(2R)-1-(1S,3R,4R)-4-(2-hydroxyethoxy)-3-methoxycyclohexylpropan-2-yl}-10,21-dimethoxy-6,8,12,14,20,26-hexamethyl-9,10,12,13,14,21,22,23,24,25,26,27,32,33,34,34a-hexadecahydro-3H-23,27-epoxypyrido2,1-c1,4oxazacyclohentriacontine-1,5,11,28,29(4H,6H,31H)-pentone |
(1R,9S,12S,15R,16E,18R,19R,21R,23S,24E,26E,28E,30S,35R)-1,18-dihydroxy-12-{(2R)-1-(1S,3R,4R)-4-(2-hydroxyethoxy)-3-methoxycyclohexylpropan-2-yl}-19,30-dimethoxy-15,17,21,23,29,35-hexamethyl-11,36-dioxa-4-azatricyclo30.3.1.0(4,9)hexatriaconta-16,24,26,28-tetraene-2,3,10,14,20-pentone |
Everolimus (RAD001) |
everolimusum |
NSC733504 |
Everolimus solution |
Everolimus (INN) |
SDZRAD |
XIENCE V |
Everolimus - RAD001 |
SCHEMBL4378 |
DSSTox_CID_20599 |
DSSTox_RID_79508 |
NVP-RAD001 |
DSSTox_GSID_40599 |
Everolimus USAN:INN:BAN |
NVP-RAD-001 |
Everolimus, analytical standard |
GTPL5889 |
RAD-001C |
CHEMBL1908360 |
DTXSID0040599 |
HSDB 8255 |
RAD 666 |
RAD-666 |
Everolimus; RAD001; SDZ-RAD |
C53H83NO14 |
42-O-(2-Hydroxyethyl)-rapamycin |
EX-A2057 |
Tox21_112510 |
BDBM50088378 |
AKOS015850977 |
ZINC169677008 |
CS-0064 |
DB01590 |
(1R,9S,12S,15R,16E,18R,19R,21R,23S,24E,26E,28E,30S,32S,35R)-1,18-Dihydroxy-12-((1R)-2-((1S,3R,4R)-4-(2-hydroxyethoxy)-3-methoxycyclohexyl)-1-methylethyl)-19,30-dimethoxy-15,17,21,23,29,35-hexamethyl-11,36-dioxa-4-azatricyclo(30.3.1.0(sup 4,9))hexatriaconta-16,24,26,28-tetraene-2,3,10,14,20-pentaone |
(1R,9S,12S,15R,16E,18R,19R,21R,23S,24E,26E,28E,30S,32S,35R)-1,18-Dihydroxy-12-((1R)-2-((1S,3R,4R)-4-(2-hydroxyethoxy)-3-methoxycyclohexyl)-1-methylethyl)-19,30-dimethoxy-15,17,21,23,29,35-hexamethyl-11,36-dioxa-4-azatricyclo(30.3.1.04,9)hexatriaconta-16,24,26,28-tetraene-2,3,10,14,20-pentaone |
(3S,6R,7E,9R,10R,12R,14S,15E,17E,19E,21S,23S,26R,27R,34aS)-9,10,12,13,14,21,22,23,24,25,26,27,32,33,34,34a-Hexadecahydro-9,27-dihydroxy-3-((1R)-2-((1S,3R,4R)-4-(2-hydroxyethoxy)-3-methoxycyclohexyl)-1-methylethyl)-10,21-dimethoxy-6,8,12,14,20,26-hexamethyl-23,27-epoxy-3H-pyrido(2,1-c)(1,4)oxaazacyclohentriacontine-1,5,11,28,29(4H,6H,31H)-pentone |
AS-16971 |
AT-22180 |
HY-10218 |
CAS-159351-69-6 |
V2036 |
Everolimus solution, 1.0 mg/ml in acetonitrile |
351E696 |
Q421052 |
Q-101413 |
BRD-K13514097-001-01-2 |
BRD-K13514097-001-05-3 |
dihydroxy-(1R)-2-(1S,3R,4R)-4-(2-hydroxyethoxy)-3-methoxy-cyclohexyl-1-methyl-ethyl-dimethoxy-hexamethyl-?pentone |
Everolimus solution, 1.0 mg/mL in acetonitrile, ampule of 1 mL, certified reference material |
Experimental Data
001, RAD
| 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 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Drosophila melanogaster | 3 | mM | 16.6 | S | Oregon-R | 22363408 | Active |
Experimental Data Visualization
001, RAD
Statistics Data
001, RAD
| Species | Lifespan Change(AVG/MED%) | Lifespan Change(MAX%) | Count Reference | Count Data point |
|---|---|---|---|---|
| Drosophila melanogaster | 16.6 | 1 | 1 |
Statistics Data Visualization
001, RAD
