Segetalin B
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MedKoo CAT#: 330244

CAS#: 164991-89-3

Description: Segetalin B is natural product isolated from Seeds of Vaccaria Segetalis. Segetalin B demonstrated to have an estrogen-like activity.

Chemical Structure

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Segetalin B
CAS# 164991-89-3
Product data Instruction

Theoretical Analysis

MedKoo Cat#: 330244
Name: Segetalin B
CAS#: 164991-89-3
Chemical Formula: C24H32N6O5
Exact Mass: 484.24
Molecular Weight: 484.557
Elemental Analysis: C, 59.49; H, 6.66; N, 17.34; O, 16.51

Price and Availability

Size Price Availability Quantity
2mg USD 90 Ready to ship
5mg USD 180 Ready to ship
10mg USD 300 Ready to ship
25mg USD 600 Ready to ship
50mg USD 1050 Ready to ship
100mg USD 1850 Ready to ship
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Synonym: Segetalin B; Vaccarin A, Segetalin B, Segetaline B; Cyclo(L-alanylglycyl-L-valyl-L-alanyl-L-tryptophyl)

IUPAC/Chemical Name: (3S,6S,9S,12S)-6-(1H-indol-3-ylmethyl)-12-isopropyl-3,9-dimethyl-1,4,7,10,13pentaaza-cyclopentadecane-2,5,8,11,14-pentaone

InChi Key: VBQDUSUKSGAFMN-OACKDKIBSA-N

InChi Code: InChI=1S/C24H32N6O5/c1-12(2)20-24(35)28-14(4)22(33)29-18(9-15-10-25-17-8-6-5-7-16(15)17)23(34)27-13(3)21(32)26-11-19(31)30-20/h5-8,10,12-14,18,20,25H,9,11H2,1-4H3,(H,26,32)(H,27,34)(H,28,35)(H,29,33)(H,30,31)/t13-,14-,18-,20-/m0/s1

SMILES Code: O=C([C@H](C)NC([C@H](CC1=CNC2=C1C=CC=C2)NC([C@H](C)NC([C@H](C(C)C)N3)=O)=O)=O)NCC3=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: 2934.99.9001

More Info:

Biological target: Segetalin B, a cyclopentapeptide from Vaccaria segetalis, possesses estrogen-like activity.
In vitro activity: To be determined
In vivo activity: SB is a potential therapeutic option for postmenopausal osteoporosis (PMOP). In ovariectomized (OVX) rats, SB treatment significantly decreased bone loss, inhibited calcium and phosphorus loss, elevated ALP activity, upregulated Runx2, Osterix, and SIRT1, and downregulated NICD and Hes1. Reference: Drug Dev Res. 2022 Dec;83(8):1845-1857. https://pubmed.ncbi.nlm.nih.gov/36207817/

Solubility Data

Solvent Max Conc. mg/mL Max Conc. mM
Solubility
DMSO 250.0 515.94

Preparing Stock Solutions

The following data is based on the product molecular weight 484.56 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. Lan X, Ma H, Cheng Q, Xiao Y, Zou L, Yuan Z, Luo J. SIRT1/Notch1 signal axis involves in the promoting effect of Segetalin B on bone formation. Drug Dev Res. 2022 Dec;83(8):1845-1857. doi: 10.1002/ddr.22001. Epub 2022 Oct 7. PMID: 36207817.
In vitro protocol: TBD
In vivo protocol: 1. Lan X, Ma H, Cheng Q, Xiao Y, Zou L, Yuan Z, Luo J. SIRT1/Notch1 signal axis involves in the promoting effect of Segetalin B on bone formation. Drug Dev Res. 2022 Dec;83(8):1845-1857. doi: 10.1002/ddr.22001. Epub 2022 Oct 7. PMID: 36207817.

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1: Wang X, Dong H, Liu Y, Yang B, Wang X, Huang L. Application of high-speed counter-current chromatography for preparative separation of cyclic peptides from Vaccaria segetalis. J Chromatogr B Analyt Technol Biomed Life Sci. 2011 Apr 1;879(11-12):811-4. doi: 10.1016/j.jchromb.2011.02.001. PMID: 21396894.

2: Morita H, Yun YS, Takeya K, Itokawa H, Shirota O. Thionation of segetalins A and B, cyclic peptides with estrogen-like activity from seeds of Vaccaria segetalis. Bioorg Med Chem. 1997 Mar;5(3):631-6. doi: 10.1016/s0968-0896(97)00001-1. PMID: 9113340.

3: Itokawa H, Yun Y, Morita H, Takeya K, Yamada K. Estrogen-like activity of cyclic peptides from Vaccaria segetalis extracts. Planta Med. 1995 Dec;61(6):561-2. doi: 10.1055/s-2006-959373. PMID: 8824953.