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

Hodoodo CAT#: H558305

CAS#: 18296-44-1

Description: Valtrate is a novel CRM1 inhibitor with anti-influenza viral effects.

Chemical Structure

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Valtrate
CAS# 18296-44-1
Instruction

Theoretical Analysis

Hodoodo Cat#: H558305
Name: Valtrate
CAS#: 18296-44-1
Chemical Formula: C22H30O8
Exact Mass: 422.19
Molecular Weight: 422.474
Elemental Analysis: C, 62.55; H, 7.16; O, 30.30

Price and Availability

Size Price Availability Quantity
10mg USD 250 2 Weeks
25mg USD 485 2 Weeks
50mg USD 850 2 Weeks
100mg USD 1350 2 Weeks
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Synonym: Valtrate

IUPAC/Chemical Name: [(1S,6S,7R,7aS)-4-(acetyloxymethyl)-1-(3-methylbutanoyloxy)spiro[6,7a-dihydro-1H-cyclopenta[c]pyran-7,2'-oxirane]-6-yl] 3-methylbutanoate

InChi Key: BDIAUFOIMFAIPU-KVJIRVJXSA-N

InChi Code: InChI=1S/C22H30O8/c1-12(2)6-18(24)29-17-8-16-15(9-26-14(5)23)10-27-21(20(16)22(17)11-28-22)30-19(25)7-13(3)4/h8,10,12-13,17,20-21H,6-7,9,11H2,1-5H3/t17-,20+,21-,22+/m0/s1

SMILES Code: CC(C)CC(O[C@H]([C@@]12OC2)C=C3[C@]1([H])[C@H](OC(CC(C)C)=O)OC=C3COC(C)=O)=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:

Biological target:
In vitro activity:
In vivo activity:

Preparing Stock Solutions

The following data is based on the product molecular weight 422.47 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:
In vitro protocol:
In vivo protocol:

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1: Wang F, Zhang Y, Wu S, He Y, Dai Z, Ma S, Liu B. Studies of the structure-antioxidant activity relationships and antioxidant activity mechanism of iridoid valepotriates and their degradation products. PLoS One. 2017 Dec 12;12(12):e0189198. doi: 10.1371/journal.pone.0189198. eCollection 2017. PubMed PMID: 29232391; PubMed Central PMCID: PMC5726618.

2: Wang C, Zheng Z, Deng X, Ma X, Wang S, Liu J, Liu Y, Shi J. Flexible and powerful strategy for qualitative and quantitative analysis of valepotriates in Valeriana jatamansi Jones using high-performance liquid chromatography with linear ion trap Orbitrap mass spectrometry. J Sep Sci. 2017 May;40(9):1906-1919. doi: 10.1002/jssc.201601406. Epub 2017 Apr 18. PubMed PMID: 28296152.

3: Lin S, Fu P, Chen T, Ye J, Yang XW, Zhang WD. Three minor valepotriate isomers from Valeriana jatamansi and their cytotoxicity. J Asian Nat Prod Res. 2017 Jan;19(1):15-21. doi: 10.1080/10286020.2016.1258065. Epub 2016 Dec 7. PubMed PMID: 27924641.

4: Lin S, Ye J, Liang X, Zhang X, Su J, Fu P, Lv DY, Shan L, Shen YH, Li HL, Yang XW, Zhang WD. Mass spectrometric profiling of valepotriates possessing various acyloxy groups from Valeriana jatamansi. J Mass Spectrom. 2015 Nov;50(11):1294-304. doi: 10.1002/jms.3697. PubMed PMID: 26505775.

5: Sun L, Qiu J, Wang G, Lin W, Zhang N. Development of a LC-MS-MS Method for Quantification of Valtrate and Its Application to Pharmacokinetic Study. J Chromatogr Sci. 2015 Oct;53(9):1597-602. doi: 10.1093/chromsci/bmv062. Epub 2015 May 24. PubMed PMID: 26006134.

6: Gravina GL, Senapedis W, McCauley D, Baloglu E, Shacham S, Festuccia C. Nucleo-cytoplasmic transport as a therapeutic target of cancer. J Hematol Oncol. 2014 Dec 5;7:85. doi: 10.1186/s13045-014-0085-1. Review. PubMed PMID: 25476752; PubMed Central PMCID: PMC4272779.

7: Shi SN, Shi JL, Liu Y, Wang YL, Wang CG, Hou WH, Guo JY. The anxiolytic effects of valtrate in rats involves changes of corticosterone levels. Evid Based Complement Alternat Med. 2014;2014:325948. doi: 10.1155/2014/325948. Epub 2014 Mar 20. PubMed PMID: 24782906; PubMed Central PMCID: PMC3978903.

8: Wang CG, Liu Y, Shi JL, Xiao Y, Shi SN, Hou WH, Wang ZJ. [Mass spectrum characterization of five valepotriates by electrospray ionization tandem mass spectrometry]. Zhongguo Zhong Yao Za Zhi. 2013 Feb;38(4):578-84. Chinese. PubMed PMID: 23713287.

9: Li X, Chen T, Lin S, Zhao J, Chen P, Ba Q, Guo H, Liu Y, Li J, Chu R, Shan L, Zhang W, Wang H. Valeriana jatamansi constituent IVHD-valtrate as a novel therapeutic agent to human ovarian cancer: in vitro and in vivo activities and mechanisms. Curr Cancer Drug Targets. 2013 May;13(4):472-83. PubMed PMID: 23597199.

10: Turner JG, Dawson J, Sullivan DM. Nuclear export of proteins and drug resistance in cancer. Biochem Pharmacol. 2012 Apr 15;83(8):1021-32. doi: 10.1016/j.bcp.2011.12.016. Epub 2011 Dec 20. Review. PubMed PMID: 22209898; PubMed Central PMCID: PMC4521586.

11: Müller LG, de Andrade Salles L, Sakamoto S, Stein AC, Cargnin ST, Cassel E, Vargas RF, Rates SM, von Poser GL. Effect of storage time and conditions on the diene valepotriates content of the extract of Valeriana glechomifolia obtained by supercritical carbon dioxide. Phytochem Anal. 2012 May-Jun;23(3):222-7. doi: 10.1002/pca.1346. Epub 2011 Sep 23. PubMed PMID: 21953720.

12: Bettero GM, Salles L, Rosário Figueira RM, Poser Gv, Rates SM, Noël F, Quintas LE. In vitro effect of valepotriates isolated from Valeriana glechomifolia on rat P-type ATPases. Planta Med. 2011 Oct;77(15):1702-6. doi: 10.1055/s-0030-1271084. Epub 2011 May 12. Erratum in: Planta Med. 2011 Oct;77(15):E14. Quintas, Luis E M [corrected to Quintas, Luis Eduardo M]. PubMed PMID: 21567360.

13: Gademann K. Controlling protein transport by small molecules. Curr Drug Targets. 2011 Oct;12(11):1574-80. Review. PubMed PMID: 21561424.

14: Watanabe K, Takatsuki H, Sonoda M, Tamura S, Murakami N, Kobayashi N. Anti-influenza viral effects of novel nuclear export inhibitors from Valerianae Radix and Alpinia galanga. Drug Discov Ther. 2011 Feb;5(1):26-31. PubMed PMID: 22466093.

15: Tamura S, Fujiwara K, Shimizu N, Todo S, Murakami N. Concise synthesis of 5,6-dihydrovaltrate leading to enhanced Rev-export inhibitory congener. Bioorg Med Chem. 2010 Aug 15;18(16):5975-80. doi: 10.1016/j.bmc.2010.06.079. Epub 2010 Jul 1. PubMed PMID: 20643553.

16: Tamura S, Shimizu N, Fujiwara K, Kaneko M, Kimura T, Murakami N. Bioisostere of valtrate, anti-HIV principle by inhibition for nuclear export of Rev. Bioorg Med Chem Lett. 2010 Apr 1;20(7):2159-62. doi: 10.1016/j.bmcl.2010.02.038. Epub 2010 Feb 13. PubMed PMID: 20207540.

17: Di HY, Shi JL, Yan XL, Zhao R, Liu Y, Xiao PG. [Study on quality specification of Rhizoma et Radix Valeriana Jatamansi]. Zhongguo Zhong Yao Za Zhi. 2007 Nov;32(22):2357-9. Chinese. PubMed PMID: 18257257.

18: Xu YM, McLaughlin SP, Gunatilaka AA. Sorbifolivaltrates A-D, diene valepotriates from Valeriana sorbifolia(1). J Nat Prod. 2007 Dec;70(12):2045-8. Epub 2007 Dec 6. PubMed PMID: 18052324.

19: Yu LL, Han CR, Huang R, Lv YP, Gui SH, Chen YG. A new iridoid tetraester from Valeriana jatamansi. Pharmazie. 2006 May;61(5):486-8. PubMed PMID: 16724553.

20: Simmen U, Saladin C, Kaufmann P, Poddar M, Wallimann C, Schaffner W. Preserved pharmacological activity of hepatocytes-treated extracts of valerian and St. John's wort. Planta Med. 2005 Jul;71(7):592-8. Erratum in: Planta Med. 2005 Sep;71(9):890. PubMed PMID: 16041642.