MedKoo Cat#: 562094 | Name: PhiKan-083 HCl

Description:

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

PhiKan083, also known as PK083 is a Y220C pocket ligand which targets the p53 cancer mutant Y220C. PK083 restores p53 signaling in Y220C p53-mutated cancer cells by binding to a mutation-induced surface crevice and acting as molecular chaperones.

Chemical Structure

PhiKan-083 HCl
PhiKan-083 HCl
CAS#1050480-30-2 (HCl)

Theoretical Analysis

MedKoo Cat#: 562094

Name: PhiKan-083 HCl

CAS#: 1050480-30-2 (HCl)

Chemical Formula: C16H19ClN2

Exact Mass: 274.1237

Molecular Weight: 274.79

Elemental Analysis: C, 69.94; H, 6.97; Cl, 12.90; N, 10.19

Price and Availability

This product is currently not in stock but may be available through custom synthesis. To ensure cost efficiency, the minimum order quantity is 1 gram. The estimated lead time is 2 to 4 months, with pricing dependent on the complexity of the synthesis (typically high for intricate chemistries). Quotes for quantities below 1 gram will not be provided. To request a quote, please click the button below. Note: If this product becomes available in stock in the future, pricing will be listed accordingly.
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Synonym
PhiKan-083; PhiKan 083; PhiKan083; PK-083; PK 083; PK083;
IUPAC/Chemical Name
1-(9-Ethyl-9H-carbazol-3-yl)-N-methylmethanamine hydrochloride
InChi Key
IXWVUPURFWFRNE-UHFFFAOYSA-N
InChi Code
InChI=1S/C16H18N2.ClH/c1-3-18-15-7-5-4-6-13(15)14-10-12(11-17-2)8-9-16(14)18;/h4-10,17H,3,11H2,1-2H3;1H
SMILES Code
CNCC1=CC2=C(C=C1)N(CC)C3=C2C=CC=C3.[H]Cl
Appearance
Solid powder
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
Soluble in DMSO
Shelf Life
>2 years if stored properly
Drug Formulation
This drug may be formulated in DMSO
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

Preparing Stock Solutions

The following data is based on the product molecular weight 274.79 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: Bauer MR, Jones RN, Baud MG, Wilcken R, Boeckler FM, Fersht AR, Joerger AC, Spencer J. Harnessing Fluorine-Sulfur Contacts and Multipolar Interactions for the Design of p53 Mutant Y220C Rescue Drugs. ACS Chem Biol. 2016 Aug 19;11(8):2265-74. doi: 10.1021/acschembio.6b00315. Epub 2016 Jun 21. PubMed PMID: 27267810; PubMed Central PMCID: PMC4994063. 2: Rauf SM, Endou A, Takaba H, Miyamoto A. Effect of Y220C mutation on p53 and its rescue mechanism: a computer chemistry approach. Protein J. 2013 Jan;32(1):68-74. doi: 10.1007/s10930-012-9458-x. PubMed PMID: 23315175. 3: Wiman KG. Pharmacological reactivation of mutant p53: from protein structure to the cancer patient. Oncogene. 2010 Jul 29;29(30):4245-52. doi: 10.1038/onc.2010.188. Epub 2010 May 24. Review. PubMed PMID: 20498645. 4: Boeckler FM, Joerger AC, Jaggi G, Rutherford TJ, Veprintsev DB, Fersht AR. Targeted rescue of a destabilized mutant of p53 by an in silico screened drug. Proc Natl Acad Sci U S A. 2008 Jul 29;105(30):10360-5. doi: 10.1073/pnas.0805326105. Epub 2008 Jul 23. PubMed PMID: 18650397; PubMed Central PMCID: PMC2492497.