MedKoo Cat#: 463991 | Name: BIBU1361 free base

Description:

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

BIBU-1361 is an EGFR inhibitor. BIBU1361 blocked epidermal growth factor-induced phosphorylation of EGFR and also prevented downstream responses such as mitogen-activated protein kinase kinase (MAPK/extracellular signal-regulated kinase kinase) and MAPK activation in cells. In accordance with these observations thymidine incorporation into EGFR-expressing KB cells was selectively and potently inhibited by BIBU1361 with half-maximally effective doses in the nanomolar range. Oral administration of BIBU-1361 inhibited the growth of established human xenografts in athymic mice, including vulval and head and neck squamous cell carcinomas.

Chemical Structure

BIBU1361 free base
BIBU1361 free base
CAS#793726-84-8 (free base)

Theoretical Analysis

MedKoo Cat#: 463991

Name: BIBU1361 free base

CAS#: 793726-84-8 (free base)

Chemical Formula: C22H27ClFN7

Exact Mass: 443.2000

Molecular Weight: 443.96

Elemental Analysis: C, 59.52; H, 6.13; Cl, 7.99; F, 4.28; N, 22.09

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
BIBU1361; BIBU 1361; BIBU-1361;
IUPAC/Chemical Name
N-(3-chloro-4-fluorophenyl)-6-(4-((diethylamino)methyl)piperidin-1-yl)pyrimido[5,4-d]pyrimidin-4-amine
InChi Key
JUGSLZCFNSTKBN-UHFFFAOYSA-N
InChi Code
InChI=1S/C22H27ClFN7/c1-3-30(4-2)13-15-7-9-31(10-8-15)22-25-12-19-20(29-22)21(27-14-26-19)28-16-5-6-18(24)17(23)11-16/h5-6,11-12,14-15H,3-4,7-10,13H2,1-2H3,(H,26,27,28)
SMILES Code
ClC1=CC(NC2=NC=NC(C=N3)=C2N=C3N4CCC(CN(CC)CC)CC4)=CC=C1F
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 443.96 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: Ghildiyal R, Dixit D, Sen E. EGFR inhibitor BIBU induces apoptosis and defective autophagy in glioma cells. Mol Carcinog. 2013 Dec;52(12):970-82. doi: 10.1002/mc.21938. Epub 2012 Jun 29. PMID: 22753156. 2: Dengg M, van Meel JC. Caenorhabditis elegans as model system for rapid toxicity assessment of pharmaceutical compounds. J Pharmacol Toxicol Methods. 2004 Nov-Dec;50(3):209-14. doi: 10.1016/j.vascn.2004.04.002. PMID: 15519907. 3: Solca FF, Baum A, Langkopf E, Dahmann G, Heider KH, Himmelsbach F, van Meel JC. Inhibition of epidermal growth factor receptor activity by two pyrimidopyrimidine derivatives. J Pharmacol Exp Ther. 2004 Nov;311(2):502-9. doi: 10.1124/jpet.104.069138. Epub 2004 Jun 15. PMID: 15199094.