Compound Summary
roscovitine
Compound Information
roscovitine
Compound Name: | roscovitine |
Compound CID: | 160355 |
Synonyms: | roscovitine Seliciclib 186692-46-6 R-Roscovitine (R)-roscovitine More... |
Iupac Name: | (2R)-2-[[6-(benzylamino)-9-propan-2-ylpurin-2-yl]amino]butan-1-ol |
InChI: | InChI=1S/C19H26N6O/c1-4-15(11-26)22-19-23-17(20-10-14-8-6-5-7-9-14)16-18(24-19)25(12-21-16)13(2)3/h5-9,12-13,15,26H,4,10-11H2,1-3H3,(H2,20,22,23,24)/t15-/m1/s1 |
InChIKey: | BTIHMVBBUGXLCJ-OAHLLOKOSA-N |
Canonical Smiles: | CCC(CO)NC1=NC(=C2C(=N1)N(C=N2)C(C)C)NCC3=CC=CC=C3 |
Isomeric Smiles: | CC[C@H](CO)NC1=NC(=C2C(=N1)N(C=N2)C(C)C)NCC3=CC=CC=C3 |
Molecular Weight: | 354.4 |
Molecular Formula: | C19H26N6O |
Compound Structure
2D Structure:
3D Structure:
Computed Properties
roscovitine
Molecular Weight: | 354.4 |
Molecular Formula: | C19H26N6O |
Hydrogen Bond Donor Count: | 3 |
Hydrogen Bond Acceptor Count: | 6 |
Rotatable Bond Count: | 8 |
Heavy Atom Count: | 26 |
Complexity: | 417 |
Synonyms
roscovitine
| roscovitine | roscovitine |
|---|---|
roscovitine |
Seliciclib |
186692-46-6 |
R-Roscovitine |
(R)-roscovitine |
CYC202 |
CYC-202 |
CYC 202 |
2-(R)-(1-Ethyl-2-hydroxyethylamino)-6-benzylamino-9-isopropylpurine |
Seliciclib (Roscovitine) |
Roscovitine (Seliciclib,CYC202) |
UNII-0ES1C2KQ94 |
(R)-2-((6-(Benzylamino)-9-isopropyl-9H-purin-2-yl)amino)butan-1-ol |
NSC-701554 |
AL-39256 |
CHEMBL14762 |
0ES1C2KQ94 |
CHEBI:45307 |
(2R)-2-6-(benzylamino)-9-propan-2-ylpurin-2-ylaminobutan-1-ol |
MFCD02266401 |
NSC701554 |
(2R)-2-6-(benzylamino)-9-isopropyl-purin-2-ylaminobutan-1-ol |
(2R)-2-{6-(benzylamino)-9-(propan-2-yl)-9H-purin-2-ylamino}butan-1-ol |
RRC |
C19H26N6O |
Rosco |
(2R)-2-{6-(benzylamino)-9-(1-methylethyl)-9H-purin-2-ylamino}butan-1-ol |
(2R)-2-9-(1-Methylethyl)-6-(phenylmethyl)amino-9H-purin-2-ylamino-1-butanol |
Seliciclib INN |
NSC 701554 |
InSolution™ Roscovitine |
2-(1-ethyl-2-hydroxyethylamino)-6-benzylamino-9-isopropylpurine |
BMK1-E12 |
1unl |
3ddq |
(2R)-2-((9-(1-methylethyl)-6-((phenylmethyl)amino)-9H-purin-2-yl)amino)-1-butanol |
2a4l |
BiomolKI_000048 |
1-Butanol, (2R)- |
ROSCOVITINE(Seliciclib) |
BiomolKI2_000054 |
M02443 |
CBiol_002016 |
Lopac0_001102 |
SCHEMBL94728 |
BSPBio_001078 |
KBioGR_000418 |
KBioSS_000418 |
cc-362 |
MLS006011028 |
BDBM7533 |
cid_160355 |
GTPL6035 |
Roscovitine, >=98% (TLC) |
BCBcMAP01_000013 |
KBio2_000418 |
KBio2_002986 |
KBio2_005554 |
KBio3_000795 |
KBio3_000796 |
AOB2095 |
DTXSID20171928 |
EX-A052 |
BCPP000087 |
Bio1_000302 |
Bio1_000791 |
Bio1_001280 |
Bio2_000379 |
Bio2_000859 |
CC205 |
HMS1362F19 |
HMS1792F19 |
HMS1990F19 |
HMS3229N13 |
HMS3403F19 |
AMY10845 |
BCP01760 |
Roscovitine (Seliciclib, CYC202) |
ZINC1649340 |
HSCI1_000092 |
NSC800881 |
s1153 |
(2R)-2-((6-benzylamino-9-(propan-2-yl)-9h-purin-2-yl)amino)butan-1-ol |
6-(Benzylamino)-2(R)-1-(hydroxymethyl)propylamino-9-isopropylpurine |
AKOS005146319 |
AC-2416 |
CCG-100652 |
DB06195 |
NSC-800881 |
2-(R)-9-(1-Methylethyl)-6-(phenylmethyl)amino-9H-purin-2-ylamino-1-butanol |
IDI1_002134 |
Roscovitine - CAS 186692-46-6 |
SMP1_000266 |
2,6,9-Trisubstituted purine deriv. 28 |
NCGC00094374-01 |
NCGC00094374-02 |
NCGC00094374-03 |
NCGC00094374-04 |
NCGC00094374-05 |
NCGC00094374-13 |
NCGC00094374-15 |
AS-56277 |
HY-30237 |
NCI60_036420 |
SMR004702823 |
SW220195-1 |
X7381 |
K00020 |
692R466 |
A813074 |
J-011999 |
J-524224 |
Q3494619 |
BRD-K07691486-001-03-1 |
BRD-K07691486-001-05-6 |
UNII-AIR55KO85E component BTIHMVBBUGXLCJ-OAHLLOKOSA-N |
(2R)-2-6-(benzylamino)-9-propan-2-yl-purin-2-ylaminobutan-1-ol |
(2R)-2-6-(phenylmethyl)amino-9-propan-2-yl-2-purinylamino-1-butanol |
(2R)-2-6-(phenylmethyl)amino-9-propan-2-yl-purin-2-ylaminobutan-1-ol |
(R)-2-((9-(1-methylethyl)-6-((phenylmethyl)amino)-9H-purin-2-yl)amino)-1-butanol |
1-Butanol, 2-((9-(1-methylethyl)-6-((phenylmethyl)amino)-9H-purin-2-yl)amino)-, (2R)- |
1-Butanol, 2-((9-(1-methylethyl)-6-((phenylmethyl)amino)-9H-purin-2-yl)amino)-, (R)- |
2-9-(1-Methylethyl)-6-(phenylmethyl)amino- 9H-purin-2-ylamino-(R)-1-butanol |
Seliciclib|||CYC-202|||(2R)-2-6-(Benzylamino)-9-propan-2-ylpurin-2-ylaminobutan-1-ol |
Experimental Data
roscovitine
| Species | Dose | Unit | Control(Avg days) | Treatment(Avg days) | Avg/Med Lifespan Change(%) | Control(Max days) | Treatment(Max days) | Max Lifespan Change(%) | Significant | Strain | Gender | PubMed | Avg/Med Lifespan Change tab |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Caenorhabditis elegans | 33.000000000000000 | umol/L | -1.000000000000000 | NS | N2 | 24134630 | Inactive |
Experimental Data Visualization
roscovitine
Statistics Data
roscovitine
| Species | Avg/Med Lifespan Change(%) | Max Lifespan Change(%) | Count Reference | Count Data point |
|---|---|---|---|---|
| Caenorhabditis elegans | -1.000000000000000 | 1 | 1 |
Statistics Data Visualization
roscovitine
