NBI-35965 Mesylate
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MedKoo CAT#: 562794

CAS#: 603151-83-3

Description: NBI-35965 Mesylate is a potent and selective corticotropin-releasing factor receptor 1 (CRF1) antagonist.


Chemical Structure

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NBI-35965 Mesylate
CAS# 603151-83-3

Theoretical Analysis

MedKoo Cat#: 562794
Name: NBI-35965 Mesylate
CAS#: 603151-83-3
Chemical Formula: C22H26Cl2N4O3S
Exact Mass: 496.11
Molecular Weight: 497.435
Elemental Analysis: C, 53.12; H, 5.27; Cl, 14.25; N, 11.26; O, 9.65; S, 6.45

Price and Availability

Size Price Availability Quantity
5mg USD 280
10mg USD 420
Bulk inquiry

Synonym: NBI-35965 Mesylate; NBI 35965 Mesylate; NBI35965 Mesylate;

IUPAC/Chemical Name: (7S)-6-(Cyclopropylmethyl)-2-(2,4-dichlorophenyl)-7-ethyl-7,8-dihydro-4-methyl-6H-1,3,6,8a-tetraazaacenaphthylene mesylate

InChi Key: ARENHXRYYRAMQA-RSAXXLAASA-N

InChi Code: InChI=1S/C21H22Cl2N4.CH4O3S/c1-3-15-11-27-21-18(26(15)10-13-4-5-13)8-12(2)24-20(21)19(25-27)16-7-6-14(22)9-17(16)23;1-5(2,3)4/h6-9,13,15H,3-5,10-11H2,1-2H3;1H3,(H,2,3,4)/t15-;/m0./s1

SMILES Code: CC1=CC2=C3N(N=C(C4=CC=C(Cl)C=C4Cl)C3=N1)C[C@H](CC)N2CC5CC5.OS(=O)(C)=O

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:

Product Data:
Biological target: NBI-35965 Mesylate is a potent and selective corticotropin-releasing factor receptor 1 (CRF1) antagonist.
In vitro activity: As a result of studies aimed at establishing a relationship between structure and CRF(1) binding affinity, NBI 35965 (12a) was identified as a high-affinity antagonist with a pK(i) value of 8.5. Compound 12a proved to be a functional CRF(1) antagonist with pIC(50) values of 7.1 and 6.9 in the in vitro CRF-stimulated cAMP accumulation and ACTH production assays, respectively, and 12a also reduced CRF or stress induced ACTH production in vivo. Reference: J Med Chem. 2005 Sep 8;48(18):5780-93. https://pubmed.ncbi.nlm.nih.gov/16134945/
In vivo activity: This study examined the influence of repeated phasic CRDs and intracisternal (ic) CRF on the spontaneous discharge rate of LC neurons in chloral hydrate-anesthetized rats and the role of CRF receptors using the nonselective CRF(1)/CRF(2) antagonist, astressin, and the water-soluble CRF(1) receptor antagonist, NBI-35965. NBI-35965 (10 mg/kg, iv) prevented the 2nd CRD- and ic CRF-induced LC neuronal activation, while at 5 mg significantly reduced the LC response to the 2nd CRD by 80%, but did not block that of ic CRF injected 30 min later. Reference: Brain Res. 2005 Sep 14;1056(1):85-96. https://pubmed.ncbi.nlm.nih.gov/16095571/

Solubility Data

Solvent Max Conc. mg/mL Max Conc. mM
Solubility
DMF 25.0 50.26
DMSO 25.0 50.26
Ethanol 10.0 20.10

Preparing Stock Solutions

The following data is based on the product molecular weight 497.44 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
Formulation protocol: 1. Gross RS, Guo Z, Dyck B, Coon T, Huang CQ, Lowe RF, Marinkovic D, Moorjani M, Nelson J, Zamani-Kord S, Grigoriadis DE, Hoare SR, Crowe PD, Bu JH, Haddach M, McCarthy J, Saunders J, Sullivan R, Chen T, Williams JP. Design and synthesis of tricyclic corticotropin-releasing factor-1 antagonists. J Med Chem. 2005 Sep 8;48(18):5780-93. doi: 10.1021/jm049085v. PMID: 16134945. 2. Hoare SR, Sullivan SK, Ling N, Crowe PD, Grigoriadis DE. Mechanism of corticotropin-releasing factor type I receptor regulation by nonpeptide antagonists. Mol Pharmacol. 2003 Mar;63(3):751-65. doi: 10.1124/mol.63.3.751. Erratum in: Mol Pharmacol. 2005 Jul;68(1):260. PMID: 12606786. 3. Ma H, Cui Z, Guo X, Zhao Q, Zhang Y, Guan Y, Yang P, Zhu H, Wang S, Zhang X, Zhang Y, Pan HL, Ma H. Corticotropin-releasing factor potentiates glutamatergic input and excitability of presympathetic neurons in the hypothalamus in spontaneously hypertensive rats. Neuropharmacology. 2023 Mar 15;230:109506. doi: 10.1016/j.neuropharm.2023.109506. Epub ahead of print. PMID: 36924924. 4. Kosoyan HP, Grigoriadis DE, Taché Y. The CRF(1) receptor antagonist, NBI-35965, abolished the activation of locus coeruleus neurons induced by colorectal distension and intracisternal CRF in rats. Brain Res. 2005 Sep 14;1056(1):85-96. doi: 10.1016/j.brainres.2005.07.010. PMID: 16095571.
In vitro protocol: 1. Gross RS, Guo Z, Dyck B, Coon T, Huang CQ, Lowe RF, Marinkovic D, Moorjani M, Nelson J, Zamani-Kord S, Grigoriadis DE, Hoare SR, Crowe PD, Bu JH, Haddach M, McCarthy J, Saunders J, Sullivan R, Chen T, Williams JP. Design and synthesis of tricyclic corticotropin-releasing factor-1 antagonists. J Med Chem. 2005 Sep 8;48(18):5780-93. doi: 10.1021/jm049085v. PMID: 16134945. 2. Hoare SR, Sullivan SK, Ling N, Crowe PD, Grigoriadis DE. Mechanism of corticotropin-releasing factor type I receptor regulation by nonpeptide antagonists. Mol Pharmacol. 2003 Mar;63(3):751-65. doi: 10.1124/mol.63.3.751. Erratum in: Mol Pharmacol. 2005 Jul;68(1):260. PMID: 12606786.
In vivo protocol: 1. Ma H, Cui Z, Guo X, Zhao Q, Zhang Y, Guan Y, Yang P, Zhu H, Wang S, Zhang X, Zhang Y, Pan HL, Ma H. Corticotropin-releasing factor potentiates glutamatergic input and excitability of presympathetic neurons in the hypothalamus in spontaneously hypertensive rats. Neuropharmacology. 2023 Mar 15;230:109506. doi: 10.1016/j.neuropharm.2023.109506. Epub ahead of print. PMID: 36924924. 2. Kosoyan HP, Grigoriadis DE, Taché Y. The CRF(1) receptor antagonist, NBI-35965, abolished the activation of locus coeruleus neurons induced by colorectal distension and intracisternal CRF in rats. Brain Res. 2005 Sep 14;1056(1):85-96. doi: 10.1016/j.brainres.2005.07.010. PMID: 16095571.

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