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AG003U50

Name: Roscovitine
Brand: Angene Chemical
SKU: AG003U50

186692-46-6 | Roscovitine

Chemical structure of Roscovitine, CAS 186692-46-6

AG003U50

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CAS Number	186692-46-6
Catalog Number	AG003U50(AGN-PC-0QFT35)
Chemical Name	Roscovitine
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
InChI Key	BTIHMVBBUGXLCJ-OAHLLOKOSA-N
MDL Number	MFCD02266401
Molecular Formula	C19H26N6O
Molecular Weight	354.4493
NSC Number	701554
SMILES	CC[C@H](CO)NC1=NC(=C2C(=N1)N(C=N2)C(C)C)NCC3=CC=CC=C3
UNII	0ES1C2KQ94
Synonyms	(2R)-2-((6-benzylamino-9-(propan-2-yl)-9h-purin-2-yl)amino)butan-1-ol, 2-(1-ethyl-2-hydroxyethylamino)-6-benzylamino-9-isopropylpurine, CYC 202, CYC-202, CYC202, R roscovitine, R-roscovitine, roscovitine, Seliciclib, roscovitine, Seliciclib, 186692-46-6, R-Roscovitine, (R)-roscovitine, CYC202, CYC-202, CYC 202, Roscovitine (Seliciclib,CYC202), 2-(R)-(1-Ethyl-2-hydroxyethylamino)-6-benzylamino-9-isopropylpurine, UNII-0ES1C2KQ94, NSC 701554, AL-39256, InSolution™ Roscovitine, CHEMBL14762, 0ES1C2KQ94, CHEBI:45307, MFCD02266401, NSC701554, NSC-701554, (2R)-2-[[6-(benzylamino)-9-isopropyl-purin-2-yl]amino]butan-1-ol, (2R)-2-[[6-(benzylamino)-9-propan-2-ylpurin-2-yl]amino]butan-1-ol, (R)-2-((6-(Benzylamino)-9-isopropyl-9H-purin-2-yl)amino)butan-1-ol, (2R)-2-{[6-(benzylamino)-9-(propan-2-yl)-9H-purin-2-yl]amino}butan-1-ol, RRC, C19H26N6O, Rosco, (2R)-2-{[6-(benzylamino)-9-(1-methylethyl)-9H-purin-2-yl]amino}butan-1-ol, (2R)-2-[[9-(1-Methylethyl)-6-[(phenylmethyl)amino]-9H-purin-2-yl]amino]-1-butanol, Seliciclib [INN], 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, (2r)-2-{[6-(benzylamino)-9-isopropyl-9h-purin-2-yl]amino}-1-butanol, Roscovitine/CYC202, 2a4l, BiomolKI_000048, 1-Butanol, (2R)-, ROSCOVITINE(Seliciclib), BiomolKI2_000054, M02443, AC1L4NH4, AC1Q4VI5, CBiol_002016, Lopac0_001102, SCHEMBL94728, BSPBio_001078, KBioGR_000418, KBioSS_000418, MLS006011028, BDBM7533, cid_160355, GTPL6035, Roscovitine, >=98% (TLC), BCBcMAP01_000013, CTK4D9313, KBio2_000418, KBio2_002986, KBio2_005554, KBio3_000795, KBio3_000796, AOB2095, DTXSID20171928, EX-A052, BTIHMVBBUGXLCJ-OAHLLOKOSA-N, BCPP000087, Bio1_000302, Bio1_000791, Bio1_001280, Bio2_000379, Bio2_000859, CC205, HMS1362F19, HMS1792F19, HMS1990F19, HMS3229N13, HMS3403F19, BCP01760, Roscovitine (Seliciclib, CYC202), ZINC1649340, ABP000228, BS0304, GP3424, HSCI1_000092, s1153, 6-(Benzylamino)-2(R)-[[1-(hydroxymethyl)propyl]amino]-9-isopropylpurine, AKOS005146319, AC-2416, AN-1311, CCG-100652, RL02372, SB16650, 2-(R)-[[9-(1-Methylethyl)-6-[(phenylmethyl)amino]-9H-purin-2-yl]amino]-1-butanol, IDI1_002134, SMP1_000266, 2,6,9-Trisubstituted purine deriv. 28, NCGC00094374-01, NCGC00094374-02, NCGC00094374-03, NCGC00094374-04, NCGC00094374-05, AJ-28787, BC683378, HY-30237, NCI60_036420, SC-85946, SMR004702823, AB1010069, CYC202, Seliciclib, 186692-46-6, LS-182554, RT-015440, FT-0674460, SW220195-1, X7381, K00020, S-7720, 692R466, J-011999, J-524224, BRD-K07691486-001-03-1, BRD-K07691486-001-05-6, UNII-AIR55KO85E component BTIHMVBBUGXLCJ-OAHLLOKOSA-N, (2R)-2-[[6-[(phenylmethyl)amino]-9-propan-2-yl-2-purinyl]amino]-1-butanol, (2R)-2-[[6-[(phenylmethyl)amino]-9-propan-2-yl-purin-2-yl]amino]butan-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)-, 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)-, 1-Butanol,2-[[9-(1-methylethyl)-6-[(phenylmethyl)amino]-9H-purin-2-yl]amino]-, (2R)-, 2-[[9-(1-Methylethyl)-6-[(phenylmethyl)amino]- 9H-purin-2-yl]amino]-(R)-1-butanol, 2-(R)-[[9-(1-Methylethyl)-6-[(phenylmethyl)amino]-9H-purin-2-yl]amino]-1-butanol; 6-(Benzylamino) -2(R)-[[1-(hydroxymethyl)propyl]amino]-9-isopropylpurine, Seliciclib\|\|\|CYC-202\|\|\|(2R)-2-[[6-(Benzylamino)-9-propan-2-ylpurin-2-yl]amino]butan-1-ol, R roscovitine, InSolution&trade, D02TIZ, D05ADP, cc-362, Roscovitine(CYC202,Seliciclib), KST-1A2714, KST-1A2715, AR-1A2673, AR-1A2674, CID160355, CS-0016, A1723, A10806, CYC202, Seliciclib, R-roscovitine, Roscovitine, C104586, D000077546, (2R)-2-((6-benzylamino-9-(propan-2-yl)-9h-purin-2-yl)amino)butan-1-ol, 214916-49-1, 214916-51-5, 2-[[9-(1-Methylethyl)-6-[(phenylmethyl)amino]-9H-purin-2-yl]amino]-(R)-1-butanol, 186692-44-4,

Complexity	417
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	354.217g/mol
Formal Charge	0
Heavy Atom Count	26
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	3
Isotope Atom Count	0
Molecular Weight	354.458g/mol
Monoisotopic Mass	354.217g/mol
Rotatable Bond Count	8
Topological Polar Surface Area	87.9A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H303+H313+H333-H315-H319-H335
Packing Group
Precautionary statements	P261-P280-P301+P312-P305+P351+P338
UN Code

Related Research Chemicals

CERTIFICATE OF ANALYSIS

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Chemical Structure:	CAS Registry No:
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Analysis Data:

Test:

Result:

Conclusion: The above product meets the specifications of Angene.

Analyst:Chase

Date:

Reviewed by:Jessie

Date:

Angene International Limited