MedKoo Cat#: 126437 | Name: Nedizantrep

Description:

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

Nedizantrep, also knwon as GDC-6599, is a potent TRPA1 Antagonist with IC50 = 5.3 nM. GDC-6599 demonstrated strong target engagement in both a guinea pig cinnamaldehyde-induced cough study and an AITC-induced dermal blood flow model. The oral delivery of GDC-6599 significantly reduced skin blood flow induced by topical application of TRPA1 agonist AITC.

Chemical Structure

Nedizantrep
Nedizantrep
CAS#2376824-99-4

Theoretical Analysis

MedKoo Cat#: 126437

Name: Nedizantrep

CAS#: 2376824-99-4

Chemical Formula: C20H19ClN6O3

Exact Mass: 426.1207

Molecular Weight: 426.86

Elemental Analysis: C, 56.28; H, 4.49; Cl, 8.30; N, 19.69; O, 11.24

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 #
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Synonym
GDC-6599;GDC6599; GDC 6599; nedizantrepum; nedizantrep
IUPAC/Chemical Name
1-((3-((3R,5R)-5-(4-chlorophenyl)tetrahydrofuran-3-yl)-1,2,4-oxadiazol-5-yl)methyl)-2,7-dimethyl-1,7-dihydro-6H-purin-6-one
InChi Key
FIBJEOLUMVIRIT-DZGCQCFKSA-N
InChi Code
InChI=1S/C20H19ClN6O3/c1-11-23-19-17(26(2)10-22-19)20(28)27(11)8-16-24-18(25-30-16)13-7-15(29-9-13)12-3-5-14(21)6-4-12/h3-6,10,13,15H,7-9H2,1-2H3/t13-,15+/m0/s1
SMILES Code
O=C1C2=C(N=CN2C)N=C(N1CC3=NC([C@H]4C[C@H](C5=CC=C(C=C5)Cl)OC4)=NO3)C
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 426.86 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: Terrett JA, Ly JQ, Katavolos P, Hasselgren C, Laing S, Zhong F, Villemure E, Déry M, Larouche-Gauthier R, Chen H, Shore DG, Lee WP, Suto E, Johnson K, Brooks M, Stablein A, Beaumier F, Constantineau-Forget L, Grand-Maître C, Lépissier L, Ciblat S, Sturino C, Chen Y, Hu B, Elstrott J, Gandham V, Joseph V, Booler H, Cain G, Chou C, Fullerton A, Lepherd M, Stainton S, Torres E, Urban K, Yu L, Zhong Y, Bao L, Chou KJ, Lin J, Zhang W, La H, Liu L, Mulder T, Chen J, Chernov- Rogan T, Johnson AR, Hackos DH, Leahey R, Shields SD, Balestrini A, Riol-Blanco L, Safina BS, Volgraf M, Magnuson S, Kakiuchi-Kiyota S. Discovery of TRPA1 Antagonist GDC-6599: Derisking Preclinical Toxicity and Aldehyde Oxidase Metabolism with a Potential First-in-Class Therapy for Respiratory Disease. J Med Chem. 2024 Mar 3. doi: 10.1021/acs.jmedchem.3c02121. Epub ahead of print. PMID: 38431835. 2: Chiang CW, Tang S, Boonstra JM, van Tilburg LP, Liu J, Chiang PC, Rich S, Wu N, Nguyen HQ, Zhang W, Hou HH, Leung DH. Development of an extemporaneous preparation formulation using a simple and non-solubilizing matrix for first in human clinical study. Int J Pharm. 2024 Feb 2;653:123868. doi: 10.1016/j.ijpharm.2024.123868. Epub ahead of print. PMID: 38309485.