MedKoo Cat#: 556160 | Name: JCN61307

Description:

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

JCN61307 is a chemical intermediate chemical reported in WO2022150721 (compound I-29). JCN61307 was conjugate with folate to make bifunctional folate receptor binding compounds and conjugates. This product has no formal name at the moment. For the convenience of communication, a temporal code name was therefore proposed according to MedKoo Chemical Nomenclature (see web page: https://www.medkoo.com/page/naming).

Chemical Structure

JCN61307
JCN61307
CAS#2802461-30-7

Theoretical Analysis

MedKoo Cat#: 556160

Name: JCN61307

CAS#: 2802461-30-7

Chemical Formula: C26H23ClF2N8

Exact Mass: 520.1702

Molecular Weight: 520.97

Elemental Analysis: C, 59.94; H, 4.45; Cl, 6.80; F, 7.29; N, 21.51

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 #
Synonym
JCN61307; JCN-61307; JCN 61307;
IUPAC/Chemical Name
Benzonitrile, 3-[(1R)-1-[[3-chloro-7-fluoro-2-methyl-6-[2-(1-piperazinyl)-5-pyrimidinyl]-1,5-naphthyridin-4-yl]amino]ethyl]-4-fluoro-
InChi Key
JZHDHSDHKSYSFI-CQSZACIVSA-N
InChi Code
InChI=1S/C26H23ClF2N8/c1-14(18-9-16(11-30)3-4-19(18)28)35-25-22(27)15(2)34-21-10-20(29)23(36-24(21)25)17-12-32-26(33-13-17)37-7-5-31-6-8-37/h3-4,9-10,12-14,31H,5-8H2,1-2H3,(H,34,35)/t14-/m1/s1
SMILES Code
FC1=CC2=C(N=C1C3=CN=C(N=C3)N4CCNCC4)C(N[C@@H](C5=CC(C#N)=CC=C5F)C)=C(C(C)=N2)Cl
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 520.97 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
Preparation of bifunctional folate receptor binding compounds and conjugates By: Lewis, Jason G.; et al World Intellectual Property Organization, WO2022150721 A1 2022-07-14