WARNING: This product is for research use only, not for human or veterinary use.
Hodoodo CAT#: H123037
CAS#: N/A
Description: WCA-814 is an Androgen Receptor (AR) Antagonist-Heat Shock Protein 90 (Hsp90) Inhibitor Conjugate for Targeted Therapy of Castration-Resistant Prostate Cancer.
Hodoodo Cat#: H123037
Name: WCA-814
CAS#: N/A
Chemical Formula: C46H53ClN10O5
Exact Mass: 860.39
Molecular Weight: 861.450
Elemental Analysis: C, 64.14; H, 6.20; Cl, 4.12; N, 16.26; O, 9.29
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Synonym: WCA-814; WCA814; WCA 814
IUPAC/Chemical Name: N-((1r,4r)-4-(3-chloro-4-cyanophenoxy)cyclohexyl)-6-(4-((4-(4-(3-(2,4-dihydroxy-5-isopropylphenyl)-5-oxo-1,5-dihydro-4H-1,2,4-triazol-4-yl)benzyl)piperazin-1-yl)methyl)piperidin-1-yl)pyridazine-3-carboxamide
InChi Key: STXXSMQHYQHLDA-XGUXPKHRSA-N
InChi Code: InChI=1S/C46H53ClN10O5/c1-29(2)37-24-38(42(59)25-41(37)58)44-52-53-46(61)57(44)34-8-3-30(4-9-34)27-54-19-21-55(22-20-54)28-31-15-17-56(18-16-31)43-14-13-40(50-51-43)45(60)49-33-6-11-35(12-7-33)62-36-10-5-32(26-48)39(47)23-36/h3-5,8-10,13-14,23-25,29,31,33,35,58-59H,6-7,11-12,15-22,27-28H2,1-2H3,(H,49,60)(H,53,61)/t33-,35-
SMILES Code: ClC1=C(C#N)C=CC(O[C@H]2CC[C@H](NC(C3=NN=C(N4CCC(CN5CCN(CC6=CC=C(N7C(C8=C(O)C=C(O)C(C(C)C)=C8)=NNC7=O)C=C6)CC5)CC4)C=C3)=O)CC2)=C1
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 861.45 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: |
Design, Synthesis, and Biological Evaluation of Androgen Receptor (AR) Antagonist-Heat Shock Protein 90 (Hsp90) Inhibitor Conjugates for Targeted Therapy of Castration-Resistant Prostate Cancer
Siqi Zhang, Xiaolei Meng, Sai Zhang, Baohu Li, Wencong Jin, Chengwei Zhang, Zhaojuan Liu, Xiaolin Hu, Ling Ge, Zhonghao Yu, Zhuoyue Li, Shumin Ma, Xiao Wang, Liming Li, and Chong Qin
Journal of Medicinal Chemistry Article ASAP
DOI: 10.1021/acs.jmedchem.2c01970