MedKoo Cat#: 150052 | Name: HER-PS-I

Description:

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

HER-PS-I is designed based on the FDA-approved HER2 inhibitor lapatinib to efficiently degrade HER2 together with its interacting protein partner HER3, which is thought to induce HER2-targeted therapy resistance and difficult to target by small molecules. HER-PS-I exhibits excellent anticancer activity against drug-resistant MDA-MB-453 cells

Chemical Structure

HER-PS-I
HER-PS-I
CAS#N/A

Theoretical Analysis

MedKoo Cat#: 150052

Name: HER-PS-I

CAS#: N/A

Chemical Formula: C36H27ClFIN4OS2

Exact Mass: 776.0340

Molecular Weight: 777.11

Elemental Analysis: C, 55.64; H, 3.50; Cl, 4.56; F, 2.44; I, 16.33; N, 7.21; O, 2.06; S, 8.25

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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Related CAS #
No Data
Synonym
HER-PS-I; HER PS I; HERPSI;
IUPAC/Chemical Name
(E)-2-(2-(5-(4-((3-Chloro-4-((3-fluorobenzyl)oxy)phenyl)amino)quinazolin-6-yl)thiophen-2-yl)vinyl)-3-ethylbenzo[d]thiazol-3-ium iodide
InChi Key
AQRKNLISUDWHED-UHFFFAOYSA-N
InChi Code
1S/C36H26ClFN4OS2.HI/c1-2-42-31-8-3-4-9-34(31)45-35(42)17-13-27-12-16-33(44-27)24-10-14-30-28(19-24)36(40-22-39-30)41-26-11-15-32(29(37)20-26)43-21-23-6-5-7-25(38)18-23;/h3-20,22H,2,21H2,1H3;1H
SMILES Code
CC[N+]1=C(/C=C/C2=CC=C(C3=CC4=C(NC5=CC=C(OCC6=CC=CC(F)=C6)C(Cl)=C5)N=CN=C4C=C3)S2)SC7=CC=CC=C17.[I-]
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

Preparing Stock Solutions

The following data is based on the product molecular weight 777.11 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: Qiu J, Liu Q, Li P, Jiang Q, Chen W, Li D, Li G, Shan G. Ligand-Directed Photodegradation of Interacting Proteins: Oxidative HER2/HER3 Heterodimer Degradation with a Lapatinib-Derived Photosensitizer. J Med Chem. 2023 Aug 10;66(15):10265-10272. doi: 10.1021/acs.jmedchem.3c00252. Epub 2023 Jul 8. PMID: 37421416.