WARNING: This product is for research use only, not for human or veterinary use.
MedKoo CAT#: 525302
Description: JNJ-10329670 represents a novel class of immunosuppressive compounds. JNJ 10329670 is a highly potent (Ki of approximately 30 nM), nonpeptidic, noncovalent inhibitor of human cathepsin S. The properties of JNJ 10329670 make it a candidate for immunosuppressive therapy of allergies and autoimmune diseases.
MedKoo Cat#: 525302
Chemical Formula: C30H34ClF3N6O3S
Exact Mass: 650.20537
Molecular Weight: 651.14
Elemental Analysis: C, 55.34; H, 5.26; Cl, 5.44; F, 8.75; N, 12.91; O, 7.37; S, 4.92
This product is not in stock, which may be available by custom synthesis.
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Synonym: JNJ-10329670; JNJ 10329670; JNJ10329670.
IUPAC/Chemical Name: 1H-Pyrazolo(4,3-C)pyridine, 1-(3-(4-(6-chloro-2,3-dihydro-3-methyl-2-oxo-1H-benzimidazol-1-yl)-1-piperidinyl)propyl)-4,5,6,7-tetrahydro-5-(methylsulfonyl)-3-(4-(trifluoromethyl)phenyl)-
InChi Key: NVAHQQYCEWEDKM-UHFFFAOYSA-N
InChi Code: InChI=1S/C30H34ClF3N6O3S/c1-36-26-9-8-22(31)18-27(26)40(29(36)41)23-10-15-37(16-11-23)13-3-14-39-25-12-17-38(44(2,42)43)19-24(25)28(35-39)20-4-6-21(7-5-20)30(32,33)34/h4-9,18,23H,3,10-17,19H2,1-2H3
SMILES Code: FC(C1=CC=C(C2=NN(CCCN3CCC(N4C5=CC(Cl)=CC=C5N(C)C4=O)CC3)C6=C2CN(S(=O)(C)=O)CC6)C=C1)(F)F
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
The following data is based on the product molecular weight 651.14 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.
|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: Grice CA, Tays K, Khatuya H, Gustin DJ, Butler CR, Wei J, Sehon CA, Sun S, Gu Y, Jiang W, Thurmond RL, Karlsson L, Edwards JP. The SAR of 4-substituted (6,6-bicyclic) piperidine cathepsin S inhibitors. Bioorg Med Chem Lett. 2006 Apr 15;16(8):2209-12. Epub 2006 Feb 3. PubMed PMID: 16458510.
2: Gustin DJ, Sehon CA, Wei J, Cai H, Meduna SP, Khatuya H, Sun S, Gu Y, Jiang W, Thurmond RL, Karlsson L, Edwards JP. Discovery and SAR studies of a novel series of noncovalent cathepsin S inhibitors. Bioorg Med Chem Lett. 2005 Mar 15;15(6):1687-91. PubMed PMID: 15745822.
3: Thurmond RL, Sun S, Sehon CA, Baker SM, Cai H, Gu Y, Jiang W, Riley JP, Williams KN, Edwards JP, Karlsson L. Identification of a potent and selective noncovalent cathepsin S inhibitor. J Pharmacol Exp Ther. 2004 Jan;308(1):268-76. Epub 2003 Oct 17. PubMed PMID: 14566006.