WARNING: This product is for research use only, not for human or veterinary use.
Hodoodo CAT#: H122749
CAS#: N/A
Description: QR-6401 is a CDK2 inhibitor. QR-6401 demonstrated robust antitumor efficacy in an OVCAR3 ovarian cancer xenograft model via oral administration.
Hodoodo Cat#: H122749
Name: QR-6401
CAS#: N/A
Chemical Formula: C19H23N5O3
Exact Mass: 369.18
Molecular Weight: 369.430
Elemental Analysis: C, 61.77; H, 6.28; N, 18.96; O, 12.99
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Synonym: QR-6401; QR6401; QR 6401
IUPAC/Chemical Name: (11S,13R,71R,73S,Z)-21H-6,10-dioxa-3,8-diaza-4(2,6)-pyridina-2(5,3)-pyrazola-1(1,3)-cyclopentana-7(1,3)-cyclobutanacyclodecaphan-9-one
InChi Key: LAQCQSKKZIRXFW-MHEUCROKSA-N
InChi Code: InChI=1S/C19H23N5O3/c25-19-21-13-7-15(8-13)26-10-12-2-1-3-17(20-12)22-18-9-16(23-24-18)11-4-5-14(6-11)27-19/h1-3,9,11,13-15H,4-8,10H2,(H,21,25)(H2,20,22,23,24)/t11-,13-,14+,15-/m0/s1
SMILES Code: O=C(O[C@H]1C[C@@H](C2=CC(N3)=NN2)CC1)N[C@H](C4)C[C@@H]4OCC5=CC=CC3=N5
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: | |
In vitro activity: | |
In vivo activity: |
The following data is based on the product molecular weight 369.43 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.
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 |
Formulation protocol: | |
In vitro protocol: | |
In vivo protocol: |
Accelerated Discovery of Macrocyclic CDK2 Inhibitor QR-6401 by Generative Models and Structure-Based Drug Design
Yang Yu, Junhong Huang, Hu He, Jing Han, Geyan Ye, Tingyang Xu, Xianqiang Sun, Xiumei Chen, Xiaoming Ren, Chunlai Li, Huijuan Li, Wei Huang, Yangyang Liu, Xinjuan Wang, Yongzhi Gao, Nianhe Cheng, Na Guo, Xibo Chen, Jianxia Feng, Yuxia Hua, Chong Liu, Guoyun Zhu, Zhi Xie, Lili Yao, Wenge Zhong, Xinde Chen, Wei Liu, and Hailong Li
ACS Medicinal Chemistry Letters Article ASAP
DOI: 10.1021/acsmedchemlett.2c00515