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MedKoo Cat#: 408021 | Name: EML631

Description:

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

EML631 is a potent and selective SPIN1 inhibitor (SPIN1 Kd= 3 microM).

Chemical Structure

EML631
EML631
CAS#2101206-36-2

Theoretical Analysis

MedKoo Cat#: 408021

Name: EML631

CAS#: 2101206-36-2

Chemical Formula: C41H60N6O3

Exact Mass: 684.4727

Molecular Weight: 684.97

Elemental Analysis: C, 71.89; H, 8.83; N, 12.27; O, 7.01

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
EML631; EML-631; EML 631;
IUPAC/Chemical Name
(2-((4-(pyrrolidin-1-ylmethoxy)phenyl)amino)-1,4-phenylene)bis((4-(2-(pyrrolidin-1-yl)ethyl)piperidin-1-yl)methanone)
InChi Key
LPCWQWNRCGWRFC-UHFFFAOYSA-N
InChi Code
InChI=1S/C41H60N6O3/c48-40(46-27-15-33(16-28-46)13-25-43-19-1-2-20-43)35-7-12-38(41(49)47-29-17-34(18-30-47)14-26-44-21-3-4-22-44)39(31-35)42-36-8-10-37(11-9-36)50-32-45-23-5-6-24-45/h7-12,31,33-34,42H,1-6,13-30,32H2
SMILES Code
O=C(C1=CC=C(C(N2CCC(CCN3CCCC3)CC2)=O)C=C1NC4=CC=C(OCN5CCCC5)C=C4)N6CCC(CCN7CCCC7)CC6
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 684.97 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: Bae N, Viviano M, Su X, Lv J, Cheng D, Sagum C, Castellano S, Bai X, Johnson C, Khalil MI, Shen J, Chen K, Li H, Sbardella G, Bedford MT. Developing Spindlin1 small-molecule inhibitors by using protein microarrays. Nat Chem Biol. 2017 Jul;13(7):750-756. doi: 10.1038/nchembio.2377. Epub 2017 May 15. PubMed PMID: 28504676; PubMed Central PMCID: PMC5831360.