4-(Cyclopentylamino)-2-(methylthio)-5-pyrimidinecarboxaldehyde

CAS

211245-64-6

Catalog Number

ACM211245646

Category

Other Products

Molecular Weight

237.321300 [g/mol]

Molecular Formula

C₁₁H₁₅N₃OS

MSDS COA Spec Sheet

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Specification

Synonyms

211245-64-6, 4-(cyclopentylamino)-2-(methylthio)pyrimidine-5-carbaldehyde, CTK0J7979, MolPort-005-942-805, ZINC20385096, AKOS016012565, AK127031, AM805707, KB-34906, 5-Pyrimidinecarboxaldehyde, 4-(cyclopentylamino)-2-(methylthio)-, 4-(CYCLOPENTYLAMINO)-2-(METHYLTHIO)-5-PYRIMIDINECARBOXALDEHYDE

IUPAC Name

4-(cyclopentylamino)-2-methylsulfanylpyrimidine-5-carbaldehyde

Canonical SMILES

CSC1=NC=C(C(=N1)NC2CCCC2)C=O

InChI Key

QKRVSWPBAOCWHY-UHFFFAOYSA-N

Exact Mass

237.09400

H-Bond Acceptor

H-Bond Donor

Downstream Synthesis Route 1

211245-64-6

571188-82-4

Reference: [1] Patent: EP2429566, 2016, B1,

Downstream Synthesis Route 2

211245-64-6

1357470-29-1

Reference: [1] Patent: WO2012/18540, 2012, A1,

Downstream Synthesis Route 3

211245-64-6
763-69-9

571189-94-1

Reference: [1]Freeman-Cook, Kevin D.; Hoffman, Robert L.; Behenna, Douglas C.; Boras, Britton; Carelli, Jordan; Diehl, Wade; Ferre, Rose Ann; He, You-Ai; Hui, Andrea; Huang, Buwen; Huser, Nanni; Jones, Rhys; Kephart, Susan E.; Lapek, John; McTigue, Michele; Miller, Nichol; Murray, Brion W.; Nagata, Asako; Nguyen, Lisa; Niessen, Sherry; Ninkovic, Sacha; O'Doherty, Inish; Ornelas, Martha A.; Solowiej, James; Sutton, Scott C.; Tran, Khanh; Tseng, Elaine; Visswanathan, Ravi; Xu, Meirong; Zehnder, Luke; Zhang, Qin; Zhang, Cathy; Dann, Stephen
[Journal of Medicinal Chemistry, 2021, vol. 64, # 13, p. 9056 - 9077]
[2]Toogood, Peter L.; Harvey, Patricia J.; Repine, Joseph T.; Sheehan, Derek J.; VanderWel, Scott N.; Zhou, Hairong; Keller, Paul R.; McNamara, Dennis J.; Sherry, Debra; Zhu, Tong; Brodfuehrer, Joanne; Choi, Chung; Barvian, Mark R.; Fry, David W.
[Journal of Medicinal Chemistry, 2005, vol. 48, # 7, p. 2388 - 2406]
[3]Current Patent Assignee: PFIZER INC - US2003/149001, 2003, A1