MedKoo Cat#: 407332 | Name: SYR127063

Description:

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

SYR127063, also known as BDBM92454, is a potent and selective HER2 inhibitor (IC50 data: HER2 = 11 nM; EGFR = 429 nM; HER4 > 10000 nM). SYR127063 binds to HER2 in an active-like conformation.

Chemical Structure

SYR127063
SYR127063
CAS#871026-18-5

Theoretical Analysis

MedKoo Cat#: 407332

Name: SYR127063

CAS#: 871026-18-5

Chemical Formula: C23H20ClF3N4O3

Exact Mass: 492.1176

Molecular Weight: 492.88

Elemental Analysis: C, 56.05; H, 4.09; Cl, 7.19; F, 11.56; N, 11.37; O, 9.74

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
SYR127063; SYR-127063; SYR 127063; BDBM92454; BDBM-92454; BDBM 92454.
IUPAC/Chemical Name
2-(2-(4-((3-chloro-4-(3-(trifluoromethyl)phenoxy)phenyl)amino)-5H-pyrrolo[3,2-d]pyrimidin-5-yl)ethoxy)ethan-1-ol
InChi Key
CMMUJJHJYMYOJR-UHFFFAOYSA-N
InChi Code
InChI=1S/C23H20ClF3N4O3/c24-18-13-16(4-5-20(18)34-17-3-1-2-15(12-17)23(25,26)27)30-22-21-19(28-14-29-22)6-7-31(21)8-10-33-11-9-32/h1-7,12-14,32H,8-11H2,(H,28,29,30)
SMILES Code
FC(C1=CC(OC2=CC=C(NC3=C4N(C=CC4=NC=N3)CCOCCO)C=C2Cl)=CC=C1)(F)F
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, not in water
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 492.88 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: Aertgeerts K, Skene R, Yano J, Sang BC, Zou H, Snell G, Jennings A, Iwamoto K, Habuka N, Hirokawa A, Ishikawa T, Tanaka T, Miki H, Ohta Y, Sogabe S. Structural analysis of the mechanism of inhibition and allosteric activation of the kinase domain of HER2 protein. J Biol Chem. 2011 May 27;286(21):18756-65. doi: 10.1074/jbc.M110.206193. Epub 2011 Mar 30. PubMed PMID: 21454582; PubMed Central PMCID: PMC3099692.