MedKoo Cat#: 127535 | Name: CHK1-IN-3
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Description:

WARNING: This product is for research use only, not for human or veterinary use.

CHK1-IN-3 is a Checkpoint Kinase 1 (CHK1) inhibitor with an IC50 of 0.4 nM.

Chemical Structure

CHK1-IN-3
CHK1-IN-3
CAS#2097252-39-4

Theoretical Analysis

MedKoo Cat#: 127535

Name: CHK1-IN-3

CAS#: 2097252-39-4

Chemical Formula: C20H23N9O

Exact Mass: 405.2026

Molecular Weight: 405.47

Elemental Analysis: C, 59.25; H, 5.72; N, 31.09; O, 3.95

Price and Availability

Size Price Availability Quantity
100mg USD 1,250.00 2 Weeks
500mg USD 2,950.00 2 Weeks
1g USD 4,250.00 2 Weeks
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Related CAS #
No Data
Synonym
CHK1-IN-3; CHK1-IN 3; CHK1 IN-3; CHK1 IN 3
IUPAC/Chemical Name
(R)-5-((5-(1-methyl-1H-pyrazol-4-yl)-4-(methylamino)pyrimidin-2-yl)amino)-3-(piperidin-3-yloxy)picolinonitrile
InChi Key
SLCNIAWQMQCAFR-OAHLLOKOSA-N
InChi Code
InChI=1S/C20H23N9O/c1-22-19-16(13-8-26-29(2)12-13)11-25-20(28-19)27-14-6-18(17(7-21)24-9-14)30-15-4-3-5-23-10-15/h6,8-9,11-12,15,23H,3-5,10H2,1-2H3,(H2,22,25,27,28)/t15-/m1/s1
SMILES Code
CNC1=C(C2=CN(C)N=C2)C=NC(NC3=CN=C(C#N)C(O[C@H]4CNCCC4)=C3)=N1
Appearance
To be determined
Purity
>98% (or refer to the Certificate of Analysis)
Shipping Condition
Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.
Storage Condition
Dry, dark and at 0 -4 C for short term (days to weeks) or -20 C for long term(months to years).
Solubility
To be determined
Shelf Life
>2 years if stored properly
Drug Formulation
To be determined
Stock Solution Storage
0 - 4 C for short term (days to weeks), or -20 C for long term (months).
HS Tariff Code
2934.99.9001
More Info
Biological target:
CHK1 Inhibitor
In vitro activity:
In vivo activity:

Preparing Stock Solutions

The following data is based on the product molecular weight 405.47 Batch specific molecular weights may vary from batch to batch due to the degree of hydration, which will affect the solvent volumes required to prepare stock solutions.

Recalculate based on batch purity %
Concentration / Solvent Volume / Mass 1 mg 5 mg 10 mg
1 mM 1.15 mL 5.76 mL 11.51 mL
5 mM 0.23 mL 1.15 mL 2.3 mL
10 mM 0.12 mL 0.58 mL 1.15 mL
50 mM 0.02 mL 0.12 mL 0.23 mL
1: Angius G, Tomao S, Stati V, Vici P, Bianco V, Tomao F. Prexasertib, a checkpoint kinase inhibitor: from preclinical data to clinical development. Cancer Chemother Pharmacol. 2020 Jan;85(1):9-20. doi: 10.1007/s00280-019-03950-y. Epub 2019 Sep 11. PMID: 31512029. 2: Black EM, Joo YK, Kabeche L. Keeping RelApse in Chk: molecular mechanisms of Chk1 inhibitor resistance in lymphoma. Biochem J. 2022 Nov 30;479(22):2345-2349. doi: 10.1042/BCJ20220461. PMID: 36416754; PMCID: PMC9704517. 3: Babiker HM, McBride A, Cooke LS, Mahadevan D. Therapeutic potential of investigational CHK-1 inhibitors for the treatment of solid tumors. Expert Opin Investig Drugs. 2017 Sep;26(9):1063-1072. doi: 10.1080/13543784.2017.1360275. Epub 2017 Jul 30. PMID: 28745064. 4: Bourgeois A, Bonnet S, Breuils-Bonnet S, Habbout K, Paradis R, Tremblay E, Lampron MC, Orcholski ME, Potus F, Bertero T, Peterlini T, Chan SY, Norris KA, Paulin R, Provencher S, Boucherat O. Inhibition of CHK 1 (Checkpoint Kinase 1) Elicits Therapeutic Effects in Pulmonary Arterial Hypertension. Arterioscler Thromb Vasc Biol. 2019 Aug;39(8):1667-1681. doi: 10.1161/ATVBAHA.119.312537. Epub 2019 May 16. PMID: 31092016; PMCID: PMC6727643. 5: Caeser R, Sen T. Should WEE(1) CHK(1) in on the FAM(122A)ily? Mol Cell. 2020 Nov 5;80(3):377-378. doi: 10.1016/j.molcel.2020.10.011. PMID: 33157011. 6: Ohashi S, Kikuchi O, Nakai Y, Ida T, Saito T, Kondo Y, Yamamoto Y, Mitani Y, Nguyen Vu TH, Fukuyama K, Tsukihara H, Suzuki N, Muto M. Synthetic Lethality with Trifluridine/Tipiracil and Checkpoint Kinase 1 Inhibitor for Esophageal Squamous Cell Carcinoma. Mol Cancer Ther. 2020 Jun;19(6):1363-1372. doi: 10.1158/1535-7163.MCT-19-0918. Epub 2020 May 5. PMID: 32371587. 7: Isono M, Okubo K, Asano T, Sato A. Inhibition of checkpoint kinase 1 potentiates anticancer activity of gemcitabine in bladder cancer cells. Sci Rep. 2021 May 13;11(1):10181. doi: 10.1038/s41598-021-89684-5. PMID: 33986399; PMCID: PMC8119486. 8: Flatten K, Dai NT, Vroman BT, Loegering D, Erlichman C, Karnitz LM, Kaufmann SH. The role of checkpoint kinase 1 in sensitivity to topoisomerase I poisons. J Biol Chem. 2005 Apr 8;280(14):14349-55. doi: 10.1074/jbc.M411890200. Epub 2005 Feb 7. PMID: 15699047. 9: Morgan MA, Parsels LA, Parsels JD, Mesiwala AK, Maybaum J, Lawrence TS. Role of checkpoint kinase 1 in preventing premature mitosis in response to gemcitabine. Cancer Res. 2005 Aug 1;65(15):6835-42. doi: 10.1158/0008-5472.CAN-04-2246. PMID: 16061666. 10: Tao ZF, Lin NH. Chk1 inhibitors for novel cancer treatment. Anticancer Agents Med Chem. 2006 Jul;6(4):377-88. doi: 10.2174/187152006777698132. PMID: 16842237. 11: Ahmed A, Yang J, Maya-Mendoza A, Jackson DA, Ashcroft M. Pharmacological activation of a novel p53-dependent S-phase checkpoint involving CHK-1. Cell Death Dis. 2011 May 19;2(5):e160. doi: 10.1038/cddis.2011.42. PMID: 21593792; PMCID: PMC3122121. 12: Matthews TP, Jones AM, Collins I. Structure-based design, discovery and development of checkpoint kinase inhibitors as potential anticancer therapies. Expert Opin Drug Discov. 2013 Jun;8(6):621-40. doi: 10.1517/17460441.2013.788496. Epub 2013 Apr 18. PMID: 23594139; PMCID: PMC3998639.