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MedKoo Cat#: 584422 | Name: NB-001
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Description:

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

NB-001 is an analgesic that can be used to treat bone cancer pain partially due to the inhibition of AC1 in anterior cingulate cortex.

Chemical Structure

NB-001
NB-001
CAS#686301-48-4

Theoretical Analysis

MedKoo Cat#: 584422

Name: NB-001

CAS#: 686301-48-4

Chemical Formula: C12H20N6O

Exact Mass: 264.1699

Molecular Weight: 264.33

Elemental Analysis: C, 54.53; H, 7.63; N, 31.79; O, 6.05

Price and Availability

Size Price Availability Quantity
5mg USD 240.00
25mg USD 690.00
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Related CAS #
No Data
Synonym
HTS 09836; HTS-09836; HTS09836; NB-001; NB001; NB 001; Peturadol
IUPAC/Chemical Name
1-Pentanol, 5-((2-(6-amino-9H-purin-9-yl)ethyl)amino)-
InChi Key
CVPTTZZCRDVGSU-UHFFFAOYSA-N
InChi Code
InChI=1S/C12H20N6O/c13-11-10-12(16-8-15-11)18(9-17-10)6-5-14-4-2-1-3-7-19/h8-9,14,19H,1-7H2,(H2,13,15,16)
SMILES Code
OCCCCCNCCN1C=NC2=C(N)N=CN=C12
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
Product Data
Instruction
View handling instruction
Biological target:
NB001 (HTS 09836) is an adenylcyclase 1 (AC1) inhibitor.
In vitro activity:
TBD
In vivo activity:
Intragastric administration of hNB001 (40 mg/kg) given 45 min before the behavior test produced a significant analgesic effect (CPN group: 1.0 ± 0.1 g before the surgery, 0.3 ± 0.05 g at 7 days after the surgery, 0.5 ± 0.1 g after the application of hNB001, n = 13 in CPN group, F(2,36) = 7.990; sham group: 0.9 ± 0.09 g before the surgery, 0.9 ± 0.1 g at 7 days after the surgery, 1.0 ± 0.2 g after the application of hNB001, n = 10 in sham group, F(2,27) = 0.798, p < 0.001) (Figure 5(b)). Reference: Mol Pain. 2022 Apr;18:17448069221089596. https://pubmed.ncbi.nlm.nih.gov/35266830/

Preparing Stock Solutions

The following data is based on the product molecular weight 264.33 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. Wang W, Chen QY, Zhao P, Zhong J, Wang Y, Li X, Zhuo M, Chen X. Human safety study of a selective neuronal adenylate cyclase 1 inhibitor NB001 which relieves the neuropathic pain and blocks ACC in adult mice. Mol Pain. 2022 Apr;18:17448069221089596. doi: 10.1177/17448069221089596. PMID: 35266830; PMCID: PMC9112679. 2. Liu RH, Shi W, Zhang YX, Zhuo M, Li XH. Selective inhibition of adenylyl cyclase subtype 1 reduces inflammatory pain in chicken of gouty arthritis. Mol Pain. 2021 Jan-Dec;17:17448069211047863. doi: 10.1177/17448069211047863. PMID: 34761717; PMCID: PMC8591642.
In vitro protocol:
TBD
In vivo protocol:
1. Wang W, Chen QY, Zhao P, Zhong J, Wang Y, Li X, Zhuo M, Chen X. Human safety study of a selective neuronal adenylate cyclase 1 inhibitor NB001 which relieves the neuropathic pain and blocks ACC in adult mice. Mol Pain. 2022 Apr;18:17448069221089596. doi: 10.1177/17448069221089596. PMID: 35266830; PMCID: PMC9112679. 2. Liu RH, Shi W, Zhang YX, Zhuo M, Li XH. Selective inhibition of adenylyl cyclase subtype 1 reduces inflammatory pain in chicken of gouty arthritis. Mol Pain. 2021 Jan-Dec;17:17448069211047863. doi: 10.1177/17448069211047863. PMID: 34761717; PMCID: PMC8591642.
1: Bosse KE, Oginsky MF, Susick LL, Ramalingam S, Ferrario CR, Conti AC. Adenylyl Cyclase 1 Is Required for Ethanol-Induced Locomotor Sensitization and Associated Increases in NMDA Receptor Phosphorylation and Function in the Dorsal Medial Striatum. J Pharmacol Exp Ther. 2017 Nov;363(2):148-155. doi: 10.1124/jpet.117.242321. Epub 2017 Aug 24. PubMed PMID: 28838956; PubMed Central PMCID: PMC5625283. 2: Sethna F, Feng W, Ding Q, Robison AJ, Feng Y, Wang H. Enhanced expression of ADCY1 underlies aberrant neuronal signalling and behaviour in a syndromic autism model. Nat Commun. 2017 Feb 20;8:14359. doi: 10.1038/ncomms14359. PubMed PMID: 28218269; PubMed Central PMCID: PMC5321753. 3: Kang WB, Yang Q, Guo YY, Wang L, Wang DS, Cheng Q, Li XM, Tang J, Zhao JN, Liu G, Zhuo M, Zhao MG. Analgesic effects of adenylyl cyclase inhibitor NB001 on bone cancer pain in a mouse model. Mol Pain. 2016 Sep 9;12. pii: 1744806916652409. doi: 10.1177/1744806916652409. Print 2016. PubMed PMID: 27612915; PubMed Central PMCID: PMC5019365. 4: Klotz KN, Kachler S. Inhibitors of membranous adenylyl cyclases with affinity for adenosine receptors. Naunyn Schmiedebergs Arch Pharmacol. 2016 Mar;389(3):349-52. doi: 10.1007/s00210-015-1197-z. Epub 2015 Dec 14. PubMed PMID: 26660072. 5: Tian Z, Wang DS, Wang XS, Tian J, Han J, Guo YY, Feng B, Zhang N, Zhao MG, Liu SB. Analgesic effects of NB001 on mouse models of arthralgia. Mol Brain. 2015 Oct 9;8(1):60. doi: 10.1186/s13041-015-0151-9. PubMed PMID: 26452469; PubMed Central PMCID: PMC4599030. 6: Chen T, O'Den G, Song Q, Koga K, Zhang MM, Zhuo M. Adenylyl cyclase subtype 1 is essential for late-phase long term potentiation and spatial propagation of synaptic responses in the anterior cingulate cortex of adult mice. Mol Pain. 2014 Oct 10;10:65. doi: 10.1186/1744-8069-10-65. PubMed PMID: 25304256; PubMed Central PMCID: PMC4198686. 7: Zhang MM, Liu SB, Chen T, Koga K, Zhang T, Li YQ, Zhuo M. Effects of NB001 and gabapentin on irritable bowel syndrome-induced behavioral anxiety and spontaneous pain. Mol Brain. 2014 Jun 16;7:47. doi: 10.1186/1756-6606-7-47. PubMed PMID: 24935250; PubMed Central PMCID: PMC4071154. 8: Brand CS, Hocker HJ, Gorfe AA, Cavasotto CN, Dessauer CW. Isoform selectivity of adenylyl cyclase inhibitors: characterization of known and novel compounds. J Pharmacol Exp Ther. 2013 Nov;347(2):265-75. doi: 10.1124/jpet.113.208157. Epub 2013 Sep 4. PubMed PMID: 24006339; PubMed Central PMCID: PMC3807061. 9: Zhuo M. Targeting neuronal adenylyl cyclase for the treatment of chronic pain. Drug Discov Today. 2012 Jun;17(11-12):573-82. doi: 10.1016/j.drudis.2012.01.009. Epub 2012 Jan 26. Review. PubMed PMID: 22405897. 10: Li M, Cui J, Wang J, Wang J, Hao L. Isolation of nitrobenzene degrading strain Pseudomonas NB001 and application in the bioremediation of polluted water body. J Environ Sci Health A Tox Hazard Subst Environ Eng. 2012;47(1):70-6. doi: 10.1080/10934529.2012.629583. PubMed PMID: 22217084. 11: Wang H, Xu H, Wu LJ, Kim SS, Chen T, Koga K, Descalzi G, Gong B, Vadakkan KI, Zhang X, Kaang BK, Zhuo M. Identification of an adenylyl cyclase inhibitor for treating neuropathic and inflammatory pain. Sci Transl Med. 2011 Jan 12;3(65):65ra3. doi: 10.1126/scitranslmed.3001269. PubMed PMID: 21228397. 12: Tanigawa M, Sawada T. Effects of subminimal inhibitory concentrations of amoxicillin against Actinobacillus pleuropneumoniae. J Vet Med B Infect Dis Vet Public Health. 2002 Dec;49(10):513-8. PubMed PMID: 12485363.