MedKoo Cat#: 463247 | Name: BJP-06-005-3

Description:

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

BJP-06–005-3 is a potent and covalent Pin1 inhibitor. BJP-06–005-3 potently inhibited Pin1 catalytic activity with an apparent Ki of 48 nM. BJP-06–005-3 showed 100% covalent labeling of Pin1 as indicated by a 702 Da molecular weight increase, corresponding to modification of Pin1 by BJP-06–005-3 upon loss of its chloride. BJP-06–005-3 engages Pin1 for 48 h following a single 5–10 μM treatment across multiple cancer cell types. BJP-06–005-3 has Pin1-dependent cell viability effects.

Chemical Structure

BJP-06-005-3
BJP-06-005-3
CAS#2400958-08-7

Theoretical Analysis

MedKoo Cat#: 463247

Name: BJP-06-005-3

CAS#: 2400958-08-7

Chemical Formula: C37H48ClN7O7

Exact Mass: 737.3304

Molecular Weight: 738.28

Elemental Analysis: C, 60.19; H, 6.55; Cl, 4.80; N, 13.28; O, 15.17

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.
Bulk Inquiry
Related CAS #
No Data
Synonym
BJP-06-005-3; BJP 06-005-3; BJP06-005-3;
IUPAC/Chemical Name
ethyl (S)-2-((S)-2-((S)-1-(N-(2-chloroacetyl)-N-methyl-L-phenylalanyl)piperidine-2-carboxamido)-3-(1H-indol-3-yl)propanamido)-5-ureidopentanoate
InChi Key
SUAZSPTYLUTEDZ-ORYMTKCHSA-N
InChi Code
InChI=1S/C37H48ClN7O7/c1-3-52-36(50)28(16-11-18-40-37(39)51)42-33(47)29(21-25-23-41-27-15-8-7-14-26(25)27)43-34(48)30-17-9-10-19-45(30)35(49)31(44(2)32(46)22-38)20-24-12-5-4-6-13-24/h4-8,12-15,23,28-31,41H,3,9-11,16-22H2,1-2H3,(H,42,47)(H,43,48)(H3,39,40,51)/t28-,29-,30-,31-/m0/s1
SMILES Code
O=C(OCC)[C@@H](NC([C@@H](NC([C@H]1N(C([C@H](CC2=CC=CC=C2)N(C(CCl)=O)C)=O)CCCC1)=O)CC3=CNC4=C3C=CC=C4)=O)CCCNC(N)=O
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
>3 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 738.28 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: Pinch BJ, Doctor ZM, Nabet B, Browne CM, Seo HS, Mohardt ML, Kozono S, Lian X, Manz TD, Chun Y, Kibe S, Zaidman D, Daitchman D, Yeoh ZC, Vangos NE, Geffken EA, Tan L, Ficarro SB, London N, Marto JA, Buratowski S, Dhe-Paganon S, Zhou XZ, Lu KP, Gray NS. Identification of a potent and selective covalent Pin1 inhibitor. Nat Chem Biol. 2020 Sep;16(9):979-987. doi: 10.1038/s41589-020-0550-9. Epub 2020 Jun 1. PMID: 32483379; PMCID: PMC7442691.