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Screening compounds

Bms-192548

Also known as 3-acetyl-4,4a,6,7,12a-pentahydroxy-9-methoxy-1,12-dihydrotetracene-2,5-dione, BMS 192548, TAN 1612

CAS 170663-42-0Formula C21H18O9Molar mass 414.37 g/mol
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Bms-192548 chemical structure, C21H18O9, CAS 170663-42-0
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
170663-42-0
Formula
C21H18O9
Molar mass
414.37 g/mol
HS code
291450
Category
Screening compounds

What is Bms-192548?

Plain description, key identifiers and synonyms

TAN-1612 is a member of the class of tetracyclines with formula C21H18O9, originally isolated from Penicillium claviforme. It has a role as a neuropeptide Y receptor antagonist, a neurokinin-1 receptor antagonist and a Penicillium metabolite. It is a tertiary alpha-hydroxy ketone, a member of tetracyclines, an enol, a member of phenols, an aromatic ether, a cyclic ketone, an enone and a methyl ketone. It is a conjugate acid of a TAN-1612(1-). It is a tautomer of a BMS-192548.

Bms-192548 is TAN-1612 is a member of the class of tetracyclines with formula C21H18O9, originally isolated from Penicillium claviforme. It has a role as a fungal metabolite, a neurokinin-1 receptor antagonist and a neuropeptide Y receptor antagonist.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
3-acetyl-4,4a,6,7,12a-pentahydroxy-9-methoxy-1,12-dihydrotetracene-2,5-dione
CAS number
170663-42-0
Molecular formula
C21H18O9
InChIKey
GEIAHRUFSQGALU-UHFFFAOYSA-N
InChI
InChI=1S/C21H18O9/c1-8(22)14-13(24)7-20(28)6-10-3-9-4-11(30-2)5-12(23)15(9)17(25)16(10)19(27)21(20,29)18(14)26/h3-5,23,25-26,28-29H,6-7H2,1-2H3
SMILES (canonical and isomeric)
CC(=O)C1=C(C2(C(=O)C3=C(C4=C(C=C(C=C4C=C3CC2(CC1=O)O)OC)O)O)O)O

Synonyms

  • 3-acetyl-4,4a,6,7,12a-pentahydroxy-9-methoxy-1,12-dihydrotetracene-2,5-dione
  • BMS 192548
  • TAN 1612
  • 2-acetyl-3,4a,10,11,12a-pentahydroxy-8-methoxy-4a,12a-dihydrotetracene-1,12(4H,5H)-dione
  • 2-acetyl-3,4a,10,12,12a-pentahydroxy-8-methoxy-4a,12a-dihydrotetracene-1,11(4H,5H)-dione

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
414.37 g/molcalc.
Exact mass
414.0951 Dacalc.
LogP (octanol/water)
0.83calc.
Topological polar surface area
161.6 Ųcalc.
Hydrogen bond donors
5calc.
Hydrogen bond acceptors
9calc.
Rotatable bonds
2calc.
Heavy atoms
30calc.
Rings
4calc.
Aromatic rings
2calc.
Fraction sp3 carbons
0.29calc.
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=C1C=CC2C(=O)c3cc4ccccc4cc3CC2C1

O=C1C=CC2C(=O)c3cc4ccccc4cc3CC2C1

4 rings, 20 atoms.

24 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.

Bms-192548 suppliers

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Bms-192548 price

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Uses and applications

What the substance is used for, by industry and function

Roles

  • Aspergillus metabolite
  • Penicillium metabolite
  • antagonist
  • eukaryotic metabolite
  • fungal metabolite
  • metabolite
  • neurokinin-1 receptor antagonist
  • neuropeptide Y receptor antagonist

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 Bms-192548 is traded under.

HS 2914.50Indicative HS code

Ketone-phenols and ketones with other oxygen function

World exports in 2024
$438M
+10.9% vs 2023, imports $420M
2019 to 2024
Top exporters
  1. China50.5%
  2. India * partner reported11.6%
  3. United States11.3%
Top importers
  1. United States20.8%
  2. Germany10.0%
  3. Netherlands8.6%

* Partner reported figures, a lower bound.

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

The HS code shown for Bms-192548 is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Bms-192548, based on the data on this page

What is Bms-192548?

TAN-1612 is a member of the class of tetracyclines with formula C21H18O9, originally isolated from Penicillium claviforme. It has a role as a neuropeptide Y receptor antagonist, a neurokinin-1 receptor antagonist and a Penicillium metabolite.

What is the CAS number of Bms-192548?

The CAS registry number of Bms-192548 is 170663-42-0.

What is the molecular formula and weight of Bms-192548?

The molecular formula of Bms-192548 is C21H18O9 and its molar mass is 414.37 g/mol.

What is Bms-192548 used for?

Known uses and roles of Bms-192548 include building blocks in research and laboratory, screening compounds in research and laboratory, aspergillus metabolite, penicillium metabolite, antagonist and 5 more.

Is Bms-192548 hazardous?

No GHS hazard classification for Bms-192548 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 Bms-192548?

Bms-192548 is usually classified under HS code 291450 (Ketone-phenols and ketones with other oxygen function). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Bms-192548?

Post a free request on CompoundList and suppliers of Bms-192548 will send you quotes. Your contact details stay private until you accept a quote.

What is the price of Bms-192548?

Suppliers quote Bms-192548 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 Bms-192548

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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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