MedKoo Cat#: 463729 | Name: VDR modulator C4

Description:

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

VDR modulator C4 is a novel nonsecosteroidal vitamin D receptor (VDR) modulator, enhancing pancreatic cancer therapy through remodeling of the tumor microenvironment by combination with gemcitabine.

Chemical Structure

VDR modulator C4
VDR modulator C4
CAS#unknown

Theoretical Analysis

MedKoo Cat#: 463729

Name: VDR modulator C4

CAS#: unknown

Chemical Formula: C31H51N3O3

Exact Mass: 513.3930

Molecular Weight: 513.77

Elemental Analysis: C, 72.47; H, 10.01; N, 8.18; O, 9.34

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
VDR modulator C4; VDR-modulator-C4; VDR-modulator C4; VDR modulator-C4;
IUPAC/Chemical Name
N-(3-(diethylamino)propyl)-1-ethyl-5-(3-(4-(3-hydroxy-3-methylbutoxy)-3-methylphenyl)pentan-3-yl)-1H-pyrrole-2-carboxamide
InChi Key
DDVNAWWNVKYKPJ-UHFFFAOYSA-N
InChi Code
InChI=1S/C31H51N3O3/c1-9-31(10-2,25-15-17-27(24(6)23-25)37-22-19-30(7,8)36)28-18-16-26(34(28)13-5)29(35)32-20-14-21-33(11-3)12-4/h15-18,23,36H,9-14,19-22H2,1-8H3,(H,32,35)
SMILES Code
O=C(C1=CC=C(C(CC)(C2=CC=C(OCCC(C)(O)C)C(C)=C2)CC)N1CC)NCCCN(CC)CC
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 513.77 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: Kang Z, Wang C, Tong Y, Li Y, Gao Y, Hou S, Hao M, Han X, Wang B, Wang Q, Zhang C. Novel Nonsecosteroidal Vitamin D Receptor Modulator Combined with Gemcitabine Enhances Pancreatic Cancer Therapy through Remodeling of the Tumor Microenvironment. J Med Chem. 2020 Dec 31. doi: 10.1021/acs.jmedchem.0c01197. Epub ahead of print. PMID: 33381963.