Dehatrine | CAS# 19634-27-6 | bisbibenzylisoquinoline alkaloid

MedKoo Cat#: 413499 | Name: Dehatrine

Description:

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

Dehatrine is from an Indonesian medical plant Beilschmiedia madang; a bisbibenzylisoquinoline alkaloid; inhibits growth of cultured Plasmodium falciparum K1 strain.

Chemical Structure

Dehatrine

CAS#19634-27-6

Theoretical Analysis

MedKoo Cat#: 413499

Name: Dehatrine

CAS#: 19634-27-6

Chemical Formula: C37H38N2O6

Exact Mass: 606.2730

Molecular Weight: 606.72

Elemental Analysis: C, 73.25; H, 6.31; N, 4.62; O, 15.82

Price and Availability

This product is currently not in stock but may be available through custom synthesis. To ensure cost efficiency, the minimum order quantity is 1 gram. The estimated lead time is 2 to 4 months, with pricing dependent on the complexity of the synthesis (typically high for intricate chemistries). Quotes for quantities below 1 gram will not be provided. To request a quote, please click the button below. Note: If this product becomes available in stock in the future, pricing will be listed accordingly.

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Related CAS #

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Synonym

Dehatrine

IUPAC/Chemical Name

(R)-16,36,37,54-tetramethoxy-32-methyl-13,14,31,32,33,34-hexahydro-2,6-dioxa-1(7,1),3(8,1)-diisoquinolina-5(1,3),7(1,4)-dibenzenacyclooctaphane

InChi Key

LPFIPRSEXCVWTR-GDLZYMKVSA-N

InChi Code

InChI=1S/C37H38N2O6/c1-39-15-13-25-20-34(42-4)36(43-5)37-35(25)29(39)17-23-8-11-30(40-2)32(18-23)44-26-9-6-22(7-10-26)16-28-27-21-33(45-37)31(41-3)19-24(27)12-14-38-28/h6-11,18-21,29H,12-17H2,1-5H3/t29-/m1/s1

SMILES Code

COc1c2cc(C[C@H]3N(CCc4c3c(Oc5c(OC)cc6c(C(Cc7ccc(O2)cc7)=NCC6)c5)c(OC)c(OC)c4)C)cc1

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

To be determined

Shelf Life

>2 years if stored properly

Drug Formulation

to be determined

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

Instruction

View handling instruction

	Solvent	mg/mL	mM
Solubility
	To be determined	0.0	0.00

Note: There can be variations in solubility for the same chemical from different vendors or different batches from the same vendor. The following factors can affect the solubility of the same chemical: solvent used for crystallization, residual solvent content, polymorphism, salt versus free form, degree of hydration, solvent temperature. Please use the solubility data as a reference only. Warming and sonication will facilitate dissolving. Still have questions? Please contact our Technical Support scientists.

Preparing Stock Solutions

The following data is based on the product molecular weight 606.72 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.

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

1: Kitagawa I, Minagawa K, Zhang RS, Hori K, Doi M, Inoue M, Ishida T, Kimura M, Uji T, Shibuya H. Dehatrine, an antimalarial bisbenzylisoquinoline alkaloid from the Indonesian medicinal plant Beilschmiedia madang, isolated as a mixture of two rotational isomers. Chem Pharm Bull (Tokyo). 1993 May;41(5):997-9. doi: 10.1248/cpb.41.997. PMID: 8339348.