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Screening compounds

Deoxybrevianamide E

Also known as Desoxybrevianamide E, (3S,8aS)-3-[[2-(2-methylbut-3-en-2-yl)-1H-indol-3-yl]methyl]-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-1,4-dione, L-Prolyl-2-(1,1-dimethylallyl)-L-tryptophan anhydride

CAS 34610-68-9Formula C21H25N3O2Molar mass 351.45 g/mol
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Deoxybrevianamide E chemical structure, C21H25N3O2, CAS 34610-68-9
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
34610-68-9
Formula
C21H25N3O2
Molar mass
351.45 g/mol
HS code
293359
Category
Screening compounds

What is Deoxybrevianamide E?

Plain description, key identifiers and synonyms

Deoxybrevianamide E is a cyclic dipeptide that is brevianamide F (cyclo-L-Trp-L-Pro) substituted at position 2 on the indole ring by a 1,1-dimethylallyl group. It is a member of indoles, an indole alkaloid, a dipeptide and a pyrrolopyrazine. It is functionally related to a brevianamide F.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(3S,8aS)-3-[[2-(2-methylbut-3-en-2-yl)-1H-indol-3-yl]methyl]-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-1,4-dione
CAS number
34610-68-9 CAS number cross-checked
Molecular formula
C21H25N3O2
UNII
GJ20E60VAQ
InChIKey
KUGNSEAHJVSMAJ-IRXDYDNUSA-N
InChI
InChI=1S/C21H25N3O2/c1-4-21(2,3)18-14(13-8-5-6-9-15(13)22-18)12-16-20(26)24-11-7-10-17(24)19(25)23-16/h4-6,8-9,16-17,22H,1,7,10-12H2,2-3H3,(H,23,25)/t16-,17-/m0/s1
Canonical SMILES
C=CC(C)(C)c1[nH]c2ccccc2c1CC1NC(=O)C2CCCN2C1=O
Isomeric SMILES
CC(C)(C=C)C1=C(C2=CC=CC=C2N1)C[C@H]3C(=O)N4CCC[C@H]4C(=O)N3

Synonyms

  • Desoxybrevianamide E
  • (3S,8aS)-3-[[2-(2-methylbut-3-en-2-yl)-1H-indol-3-yl]methyl]-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-1,4-dione
  • L-Prolyl-2-(1,1-dimethylallyl)-L-tryptophan anhydride
  • cyclo-L-prolyl-2-(1,1-dimethylallyl)-L-tryptophan
  • cyclo-2-(1,1-dimethylallyl)-L-tryptophyl-L-proline
  • Pyrrolo(1,2-a)pyrazine-1,4-dione, 3-((2-(1,1-dimethyl-2-propen-1-yl)-1H-indol-3-yl)methyl)hexahydro-, (3S,8aS)-
  • (3S,8aS)-3-{[2-(2-methylbut-3-en-2-yl)-1H-indol-3-yl]methyl}hexahydropyrrolo[1,2-a]pyrazine-1,4-dione
  • (3S,8aS)-3-((2-(2-methylbut-3-en-2-yl)-1H-indol-3-yl)methyl)-2,3,6,7,8,8a-hexahydropyrrolo(1,2-a)pyrazine-1,4-dione
  • (3S,8aS)-3-((2-(2-methylbut-3-en-2-yl)-1H-indol-3-yl)methyl)hexahydropyrrolo(1,2-a)pyrazine-1,4-dione
  • Prolyl-2-(1,1-dimethylallyl)tryptophyldiketopiperazine
  • Pyrrolo(1,2-a)pyrazine-1,4-dione, 3-((2-(1,1-dimethylallyl)indol-3-yl)methyl)hexahydro-
  • Pyrrolo[1,2-a]pyrazine-1,4-dione, 3-[[2-(1,1-dimethylallyl)indol-3-yl]methyl]hexahydro-
  • (+)-deoxybrevianamide E
  • (3S,8aS)-1-Hydroxy-3-{[2-(2-methylbut-3-en-2-yl)-1H-indol-3-yl]methyl}-6,7,8,8a-tetrahydropyrrolo[1,2-a]pyrazin-4(3H)-one
  • (3S,8aS)-3-[[2-(1,1-dimethylallyl)-1H-indol-3-yl]methyl]-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-1,4-dione
  • (3S,8as)-3-[[2-(2-methylbut-3-en-2-yl)-1H-indol-3-yl]methyl]-2,3,6,7,8,8a-hexahydropyrrolo[2,1-f]pyrazine-1,4-dione
  • 1-Hydroxy-3-{[2-(2-methylbut-3-en-2-yl)-1H-indol-3-yl]methyl}-6,7,8,8a-tetrahydropyrrolo[1,2-a]pyrazin-4(3H)-one

Physical and chemical properties

Measured values and descriptors computed from the structure

Physical and chemical properties

Measured values, check the supplier specification for your grade

No measured properties are recorded for this substance yet. Ask suppliers for a technical data sheet.

Values vary by grade. Ask suppliers for the COA or TDS of the batch you buy.

Computed descriptors

Calculated from the structure, useful for screening and formulation

Molecular weight
351.45 g/molcalc.
Exact mass
351.1947 Dacalc.
LogP (octanol/water)
2.66calc.
Topological polar surface area
65.2 Ųcalc.
Hydrogen bond donors
2calc.
Hydrogen bond acceptors
2calc.
Rotatable bonds
4calc.
Heavy atoms
26calc.
Rings
4calc.
Aromatic rings
2calc.
Fraction sp3 carbons
0.43calc.
Formal charge
0calc.
Stereocentres
2calc.
Lipinski rule of five
Passes (0 violations)calc.

Calculated for screening. Confirm critical figures with the supplier.

Murcko scaffold

The ring system that remains when every side chain is removed

Murcko scaffold of this chemical, O=C1NC(Cc2c[nH]c3ccccc23)C(=O)N2CCCC12

O=C1NC(Cc2c[nH]c3ccccc23)C(=O)N2CCCC12

4 rings, 21 atoms, the 3-(1H-Indol-3-ylmethyl)-2,3,6,7,8,8a-hexahydropyrrolo(1,2-a)pyrazine-1,4-dione ring system.

6 other chemicals share this scaffold

Safety and hazards

GHS classification summary, not a safety data sheet

No GHS hazard classification is recorded for this substance yet. That does not mean it is harmless.

GHS classification summary, not a safety data sheet (SDS). Classifications can differ by supplier, grade and concentration. Always check the supplier's SDS.

Deoxybrevianamide E suppliers

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All 2 suppliers

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Where suppliers are based

2 suppliers in 2 countries

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Deoxybrevianamide E price

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Uses and applications

What the substance is used for, by industry and function

Regulatory status

Inventories, regulations and trade controls that list this substance

No regulatory list memberships are recorded for this substance yet. Always check the rules of the importing and exporting country before trade.

HS code and trade data

Customs classification and reported world trade statistics

Global trade

World import and export statistics for the HS code Deoxybrevianamide E is traded under.

HS 2933.59Indicative HS code

Compounds containing a pyrimidine ring (whether or not hydrogenated) or piperazine ring, other

World exports in 2024
$18.4B
+10.5% vs 2023, imports $24.8B
2019 to 2024
Top exporters
  1. Ireland43.6%
  2. Switzerland * partner reported26.3%
  3. China7.9%
Top importers
  1. Slovenia30.3%
  2. United States30.1%
  3. Germany15.3%

* Partner reported figures, a lower bound.

Reported customs values in USD, not prices.Full trade data

The HS code shown for Deoxybrevianamide E is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Deoxybrevianamide E, based on the data on this page

What is Deoxybrevianamide E?

Deoxybrevianamide E is a cyclic dipeptide that is brevianamide F (cyclo-L-Trp-L-Pro) substituted at position 2 on the indole ring by a 1,1-dimethylallyl group. It is a member of indoles, an indole alkaloid, a dipeptide and a pyrrolopyrazine. It is functionally related to a brevianamide F.

What is the CAS number of Deoxybrevianamide E?

The CAS registry number of Deoxybrevianamide E is 34610-68-9.

What is the molecular formula and weight of Deoxybrevianamide E?

The molecular formula of Deoxybrevianamide E is C21H25N3O2 and its molar mass is 351.45 g/mol.

What is Deoxybrevianamide E used for?

Known uses and roles of Deoxybrevianamide E include building blocks in research and laboratory and screening compounds in research and laboratory.

Is Deoxybrevianamide E hazardous?

No GHS hazard classification for Deoxybrevianamide E is recorded on CompoundList yet. That does not prove it is safe. Always read the supplier safety data sheet.

What is the HS code of Deoxybrevianamide E?

Deoxybrevianamide E is usually classified under HS code 293359 (Compounds containing a pyrimidine ring (whether or not hydrogenated) or piperazine ring…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Deoxybrevianamide E?

CompoundList lists 2 suppliers of Deoxybrevianamide E in Australia and Germany. Send one free request to get and compare quotes. Your contact details stay private until you accept a quote.

What is the price of Deoxybrevianamide E?

Suppliers quote Deoxybrevianamide E on request because prices depend on grade, purity, quantity and destination. A free request on CompoundList gets you several quotes to compare.

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Data last updated 7 Oct 2026. Details may have changed, please confirm them with the supplier. Report an error on this page
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