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Screening compounds

Aderbasib

Also known as INCB7839, INCB 007839, 5-Azaspiro(2.5)octane-5-carboxylic acid, 7-((hydroxyamino)carbonyl)-6-((4-phenyl-1-piperazinyl)carbonyl)-, methyl ester, (6S,7S)-

CAS 791828-58-5Formula C21H28N4O5Molar mass 416.48 g/mol
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Aderbasib chemical structure, C21H28N4O5, CAS 791828-58-5
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
791828-58-5
Formula
C21H28N4O5
Molar mass
416.48 g/mol
HS code
293359
Category
Screening compounds

What is Aderbasib?

Plain description, key identifiers and synonyms

Aderbasib is an orally bioavailable inhibitor of the ADAM (A Disintegrin And Metalloprotease) family of multifunctional membrane-bound proteins with potential antineoplastic activity. Aderbasib represses the metalloproteinase 'sheddase' activities of ADAM10 and ADAM17, which may result in the inhibition of tumor cell proliferation. The metalloproteinase domains of ADAMs cleave cell surface proteins at extracellular sites proximal to the cell membrane, releasing or "shedding" soluble protein etcodomains from the cell surface, the disintegrin domains of these multifunctional proteins interact with various components of the extracellular matrix (ECM). ADAM10 processes particular epithelial growth factor receptor (EGFR) ligands and appears to regulate Notch signaling through the cleavage of Notch and its related ligand delta-like ligand-1 (Dll-1).

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ADAM17 (also known as Tumor necrosis factor-Converting Enzyme or TACE) is involved in processing tumor necrosis factor (TNF) from its membrane bound precursor to its soluble circulating form and in processing ligands for the epidermal growth factor receptor (EGFR) family.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
methyl (6S,7S)-7-(hydroxycarbamoyl)-6-(4-phenylpiperazine-1-carbonyl)-5-azaspiro[2.5]octane-5-carboxylate
CAS number
791828-58-5 CAS number cross-checked
Molecular formula
C21H28N4O5
UNII
V9YL6NEJ3G
MDL number
MFCD13195569
InChIKey
DJXMSZSZEIKLQZ-IRXDYDNUSA-N
InChI
InChI=1S/C21H28N4O5/c1-30-20(28)25-14-21(7-8-21)13-16(18(26)22-29)17(25)19(27)24-11-9-23(10-12-24)15-5-3-2-4-6-15/h2-6,16-17,29H,7-14H2,1H3,(H,22,26)/t16-,17-/m0/s1
Canonical SMILES
COC(=O)N1CC2(CC2)CC(C(=O)NO)C1C(=O)N1CCN(c2ccccc2)CC1
Isomeric SMILES
COC(=O)N1CC2(CC2)C[C@@H]([C@H]1C(=O)N3CCN(CC3)C4=CC=CC=C4)C(=O)NO

Synonyms

  • INCB7839
  • INCB 007839
  • 5-Azaspiro(2.5)octane-5-carboxylic acid, 7-((hydroxyamino)carbonyl)-6-((4-phenyl-1-piperazinyl)carbonyl)-, methyl ester, (6S,7S)-
  • Methyl (6S,7S)-7-((hydroxyamino)carbonyl)-6-((4-phenylpiperazin-1-yl)carbonyl)-5-azaspiro(2.5)octane-5-carboxylate
  • aderbasibum
  • methyl (6s,7s)-7-[(hydroxyamino)carbonyl]-6-[(4-phenylpiperazin-1-yl)carbonyl]-5-azaspiro[2.5]octane-5-carboxylate
  • Methyl (6S,7S)-7-(Hhydroxyamino)carbonyl)-6-((4-phenylpiperazin-1-yl)carbonyl)-5-azaspiro(2.5)octane-5-carboxylate
  • (6S,7S)-Methyl 7-(hydroxycarbamoyl)-6-(4-phenylpiperazine-1-carbonyl)-5-azaspiro[2.5]octane-5-carboxylate
  • methyl (6S,7S)-7-(hydroxycarbamoyl)-6-(4-phenylpiperazine-1-carbonyl)-5-azaspiro[2.5]octane-5-carboxylate
  • (6S,7S)-7-[(Hydroxyamino)carbonyl]-6-[(4-phenyl-1-piperazinyl)carbonyl]-5-azaspiro[2.5]octane-5-carboxylic Acid Methyl Ester
  • Methyl (6S,7S)-7-[(hydroxyamino)carbonyl]-6-[(4-phenyl-1-piperazinyl)carbonyl]-5-azaspiro[2.5]octane-5-carboxylate
  • Aderbasib (USAN/INN)
  • INCB-007839, INCB007839, INCB 007839
  • INCB 00 7839
  • (6S,7S)-Methyl7-(hydroxycarbamoyl)-6-(4-phenylpiperazine-1-carbonyl)-5-azaspiro[2.5]octane-5-carboxylate
  • Aderbasib, (6S,7S)-7-[(Hydroxyamino)carbonyl]-6-[(4-phenyl-1-piperazinyl)carbonyl]-5-azaspiro[2.5]octane-5-carboxylic acid methyl ester

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
416.48 g/molcalc.
Exact mass
416.206 Dacalc.
LogP (octanol/water)
1.08calc.
Topological polar surface area
102.4 Ųcalc.
Hydrogen bond donors
2calc.
Hydrogen bond acceptors
6calc.
Rotatable bonds
3calc.
Heavy atoms
30calc.
Rings
4calc.
Aromatic rings
1calc.
Fraction sp3 carbons
0.57calc.
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=C(C1CCC2(CC2)CN1)N1CCN(c2ccccc2)CC1

O=C(C1CCC2(CC2)CN1)N1CCN(c2ccccc2)CC1

4 rings, 22 atoms.

2 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.

Aderbasib suppliers

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Aderbasib 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
  • 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 Aderbasib 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 Aderbasib is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Aderbasib, based on the data on this page

What is Aderbasib?

Aderbasib is an orally bioavailable inhibitor of the ADAM (A Disintegrin And Metalloprotease) family of multifunctional membrane-bound proteins with potential antineoplastic activity.

What is the CAS number of Aderbasib?

The CAS registry number of Aderbasib is 791828-58-5.

What is the molecular formula and weight of Aderbasib?

The molecular formula of Aderbasib is C21H28N4O5 and its molar mass is 416.48 g/mol.

What is Aderbasib used for?

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

Is Aderbasib hazardous?

No GHS hazard classification for Aderbasib 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 Aderbasib?

Aderbasib 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 Aderbasib?

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

What is the price of Aderbasib?

Suppliers quote Aderbasib 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 Aderbasib

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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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