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

MedKoo CAT#: 591781

CAS#: 145-39-1

Description: Musk tibetine, In contrast to other musk cpds this cpd does not cause allergic photocontact dermatitis. It is found in human breast milk.

Chemical Structure

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Musk tibetine
CAS# 145-39-1
Product data Instruction

Theoretical Analysis

MedKoo Cat#: 591781
Name: Musk tibetine
CAS#: 145-39-1
Chemical Formula: C13H18N2O4
Exact Mass: 266.13
Molecular Weight: 266.297
Elemental Analysis: C, 58.63; H, 6.81; N, 10.52; O, 24.03

Price and Availability

This product is not in stock, which may be available by custom synthesis. For cost-effective reason, minimum order is 1g (price is usually high, lead time is 2~3 months, depending on the technical challenge). Quote less than 1g will not be provided. To request quote, please email to sales @medkoo.com or click below button.
Note: Price will be listed if it is available in the future.

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Synonym: Musk tibetine; NSC 78470; NSC-78470; NSC78470

IUPAC/Chemical Name: 1-tert-Butyl-3,4,5-trimethyl-2,6-dinitrobenzene

InChi Key: MINYPECWDZURGR-UHFFFAOYSA-N

InChi Code: InChI=1S/C13H18N2O4/c1-7-8(2)11(14(16)17)10(13(4,5)6)12(9(7)3)15(18)19/h1-6H3

SMILES Code: O=[N+](C1=C(C(C)(C)C)C([N+]([O-])=O)=C(C)C(C)=C1C)[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: >3 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: 2934.99.03.00

More Info:

Product Data:
Product Data
Instruction:
View handling instruction
Biological target: Musk tibetene (Musk tibetine) is a nitro musk compound with carcinogenic activity.
In vitro activity: TBD
In vivo activity: Statistical analysis comparing cells from musk xylene- or musk tibetene-treated animals with those from control mice proved that the test is positive. Musk xylene and musk tibetene revealed a cell-transforming potential that showed a dose-dependent response in our host-mediated assay system. This study has succeeded in establishing permanent cell lines from mice treated with musk xylene, or musk tibetene. Reference: Anticancer Res. 2002 Sep-Oct;22(5):2657-62. https://pubmed.ncbi.nlm.nih.gov/12529978/

Preparing Stock Solutions

The following data is based on the product molecular weight 266.30 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: Apostolidis S, Chandra T, Demirhan I, Cinatl J, Doerr HW, Chandra A. Evaluation of carcinogenic potential of two nitro-musk derivatives, musk xylene and musk tibetene in a host-mediated in vivo/in vitro assay system. Anticancer Res. 2002 Sep-Oct;22(5):2657-62. PMID: 12529978.
In vitro protocol: TBD
In vivo protocol: Apostolidis S, Chandra T, Demirhan I, Cinatl J, Doerr HW, Chandra A. Evaluation of carcinogenic potential of two nitro-musk derivatives, musk xylene and musk tibetene in a host-mediated in vivo/in vitro assay system. Anticancer Res. 2002 Sep-Oct;22(5):2657-62. PMID: 12529978.

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1: Yin J, Wang H, Li J, Wu Y, Shao B. Occurrence of synthetic musks in human breast milk samples from 12 provinces in China. Food Addit Contam Part A Chem Anal Control Expo Risk Assess. 2016 Jul;33(7):1219-27. doi: 10.1080/19440049.2016.1201219. Epub 2016 Jul 4. PubMed PMID: 27310419.

2: Dong H, Tang H, Chen D, Xu T, Li L. Analysis of 7 synthetic musks in cream by supported liquid extraction and solid phase extraction followed by GC-MS/MS. Talanta. 2014 Mar;120:248-54. doi: 10.1016/j.talanta.2013.11.086. Epub 2013 Dec 6. PubMed PMID: 24468366.

3: Canterino M, Marotta R, Temussi F, Zarrelli A. Photochemical behaviour of musk tibetene. A chemical and kinetic investigation. Environ Sci Pollut Res Int. 2008 May;15(3):182-7. PubMed PMID: 18504835.

4: Bauer M, Hilpert F, Arnold N, Pfisterer J, Jonat W, Kruse H. Simultaneous congener-specific determination of selected organochlorine compounds and nitro musks in human whole blood samples by solid-phase extraction and capillary gas chromatography with electron capture detection. J Anal Toxicol. 2005 Mar;29(2):110-7. PubMed PMID: 15902979.

5: Apostolidis S, Chandra T, Demirhan I, Cinatl J, Doerr HW, Chandra A. Evaluation of carcinogenic potential of two nitro-musk derivatives, musk xylene and musk tibetene in a host-mediated in vivo/in vitro assay system. Anticancer Res. 2002 Sep-Oct;22(5):2657-62. PubMed PMID: 12529978.

6: Eisenhardt S, Runnebaum B, Bauer K, Gerhard I. Nitromusk compounds in women with gynecological and endocrine dysfunction. Environ Res. 2001 Dec;87(3):123-30. PubMed PMID: 11771925.

7: Neamtu M, Siminiceanu I, Kettrup A. Kinetics of nitromusk compounds degradation in water by ultraviolet radiation and hydrogen peroxide. Chemosphere. 2000 Jun;40(12):1407-10. PubMed PMID: 10789981.

8: Kevekordes S, Zaulig A, Dunkelberg H. Genotoxicity of nitro musks in the micronucleus test with human lymphocytes in vitro and the human hepatoma cell line Hep G2. Toxicol Lett. 1997 Mar 14;91(1):13-7. PubMed PMID: 9096281.

9: Müller S, Schmid P, Schlatter C. Occurrence of nitro and non-nitro benzenoid musk compounds in human adipose tissue. Chemosphere. 1996 Jul;33(1):17-28. PubMed PMID: 8680828.

10: Emig M, Reinhardt A, Mersch-Sundermann V. A comparative study of five nitro musk compounds for genotoxicity in the SOS chromotest and Salmonella mutagenicity. Toxicol Lett. 1996 Jun;85(3):151-6. PubMed PMID: 8644127.

11: Ford RA, Api AM, Newberne PM. 90-day dermal toxicity study and neurotoxicity evaluation of nitromusks in the albino rat. Food Chem Toxicol. 1990 Jan;28(1):55-61. PubMed PMID: 2312014.

12: Parker RD, Buehler EV, Newmann EA. Phototoxicity, photoallergy, and contact sensitization of nitro musk perfume raw materials. Contact Dermatitis. 1986 Feb;14(2):103-9. PubMed PMID: 3709143.

13: Bruze M, Gruvberger B. Contact allergy to photoproducts of musk ambrette. Photodermatol. 1985 Oct;2(5):310-4. PubMed PMID: 4070029.

14: Bruze M, Edman B, Niklasson B, Möller H. Thin layer chromatography and high pressure liquid chromatography of musk ambrette and other nitromusk compounds including photopatch studies. Photodermatol. 1985 Oct;2(5):295-302. PubMed PMID: 4070028.

15: Cronin E. Photosensitivity to musk ambrette. Contact Dermatitis. 1984 Aug;11(2):88-92. PubMed PMID: 6237881.

16: FUSON RC, MILLS J, et al. The structure of musk ketone and musk tibetene. J Org Chem. 1947 Jul;12(4):587-95. PubMed PMID: 20253229.