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Screening compounds

Bistratamide E

CAS 501909-60-0Formula C25H34N6O4S2Molar mass 546.72 g/mol
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Bistratamide E chemical structure, C25H34N6O4S2, CAS 501909-60-0
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
501909-60-0
Formula
C25H34N6O4S2
Molar mass
546.72 g/mol
HS code
293499
Category
Screening compounds

What is Bistratamide E?

Plain description, key identifiers and synonyms

Bistratamide E is a homodetic cyclic peptide that consists of L-threonine and L-valine as the amino acid residues cyclised via amide bonds. It is isolated from Lissoclinum bistratum and exhibits antitumour activity against the human colon tumour cell line. It has a role as a metabolite and an antineoplastic agent. It is a homodetic cyclic peptide and a macrocycle.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(4S,7R,8S,11S,18S)-7-methyl-4,11,18-tri(propan-2-yl)-6-oxa-13,20-dithia-3,10,17,22,23,24-hexazatetracyclo[17.2.1.15,8.112,15]tetracosa-1(21),5(24),12(23),14,19(22)-pentaene-2,9,16-trione
CAS number
501909-60-0
Molecular formula
C25H34N6O4S2
InChIKey
USFFWHGVKNECEY-RUZYHRDJSA-N
InChI
InChI=1S/C25H34N6O4S2/c1-10(2)16-23-31-19(13(7)35-23)22(34)30-18(12(5)6)25-27-15(9-37-25)21(33)29-17(11(3)4)24-26-14(8-36-24)20(32)28-16/h8-13,16-19H,1-7H3,(H,28,32)(H,29,33)(H,30,34)/t13-,16+,17+,18+,19+/m1/s1
Canonical SMILES
CC(C)C1NC(=O)c2csc(n2)C(C(C)C)NC(=O)c2csc(n2)C(C(C)C)NC(=O)C2N=C1OC2C
Isomeric SMILES
C[C@@H]1[C@H]2C(=O)N[C@H](C3=NC(=CS3)C(=O)N[C@H](C4=NC(=CS4)C(=O)N[C@H](C(=N2)O1)C(C)C)C(C)C)C(C)C

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
546.72 g/molcalc.
Exact mass
546.2083 Dacalc.
LogP (octanol/water)
3.49calc.
Topological polar surface area
134.7 Ųcalc.
Hydrogen bond donors
3calc.
Hydrogen bond acceptors
9calc.
Rotatable bonds
3calc.
Heavy atoms
37calc.
Rings
4calc.
Aromatic rings
2calc.
Fraction sp3 carbons
0.6calc.
Formal charge
0calc.
Stereocentres
5calc.
Lipinski rule of five
Passes (1 violation)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=C1NCC2=NC(CO2)C(=O)NCc2nc(cs2)C(=O)NCc2nc1cs2

O=C1NCC2=NC(CO2)C(=O)NCc2nc(cs2)C(=O)NCc2nc1cs2

4 rings, 27 atoms.

No other chemical in our database has 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.

Bistratamide E suppliers

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Bistratamide E price

Indicative price range per kg from live supplier offers

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Uses and applications

What the substance is used for, by industry and function

Roles

  • antineoplastic agent
  • metabolite
  • pharmaceutical

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 Bistratamide E is traded under.

HS 2934.99Indicative HS code

Nucleic acids and their salts, other heterocyclic compounds, not elsewhere classified in heading 2934

World exports in 2024
$26.7B
+15.0% vs 2023, imports $26.3B
2019 to 2024
Top exporters
  1. Ireland26.3%
  2. China15.7%
  3. Singapore10.3%
Top importers
  1. United States24.5%
  2. Germany23.1%
  3. Japan4.5%
Reported customs values in USD, not prices.Full trade data

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

Frequently asked questions

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

What is Bistratamide E?

Bistratamide E is a homodetic cyclic peptide that consists of L-threonine and L-valine as the amino acid residues cyclised via amide bonds. It is isolated from Lissoclinum bistratum and exhibits antitumour activity against the human colon tumour cell line. It has a role as a metabolite and an antineoplastic agent.

What is the CAS number of Bistratamide E?

The CAS registry number of Bistratamide E is 501909-60-0.

What is the molecular formula and weight of Bistratamide E?

The molecular formula of Bistratamide E is C25H34N6O4S2 and its molar mass is 546.72 g/mol.

What is Bistratamide E used for?

Known uses and roles of Bistratamide E include building blocks in research and laboratory, screening compounds in research and laboratory, antineoplastic agent, metabolite and pharmaceutical.

Is Bistratamide E hazardous?

No GHS hazard classification for Bistratamide 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 Bistratamide E?

Bistratamide E is usually classified under HS code 293499 (Nucleic acids and their salts, whether or not chemically defined, other heterocyclic…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Bistratamide E?

Post a free request on CompoundList and suppliers of Bistratamide E will send you quotes. Your contact details stay private until you accept a quote.

What is the price of Bistratamide E?

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

Guides for buyers

Practical guides that help when you source, ship or handle Bistratamide E

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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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