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Home/Compounds/CAS 16506-27-7
Formula C16H21Cl2N3O2MW 358.3Research-use catalog entryCOA/SDS by request

Bendamustine

CAS Number: 16506-27-7

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Loading RDKit molecule structure...
InChIKey: YTKUWDBFDASYHO-UHFFFAOYSA-NC16H21Cl2N3O2 | MW 358.3

Chemical Absolute Identifiers

CAS Number

16506-27-7

PubChem CID

65628

Molecular Formula

C16H21Cl2N3O2

Molecular Weight

358.3 g/mol

Exact Mass

357.101082

InChIKey

YTKUWDBFDASYHO-UHFFFAOYSA-N

IUPAC Name

4-[5-[bis(2-chloroethyl)amino]-1-methylbenzimidazol-2-yl]butanoic acid

SMILES String

CN1C2=C(C=C(C=C2)N(CCCl)CCCl)N=C1CCCC(=O)O

Physical Properties

No physical property values available.

Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.

Catalog Facts

Structural features

Bendamustine (CAS 16506-27-7) is listed in the Advanced Chemicals portfolio, with molecular formula C16H21Cl2N3O2 and molecular weight 358. 30 g/mol.

Sourcing context

Catalog reference for RFQ preparation, supplier confirmation, and research chemical sourcing review.

Research use context

Intended for research building-block and synthetic chemistry workflows; structure-derived tags include nitrogen-containing heterocycle.

Documentation needs

COA/SDS status, availability, lead time, pack size, and shipment documentation can be confirmed during quotation.

Applications & Classification

Heterocyclic Building BlocksSynthetic ChemistryResearch intermediateCustom synthesis building blockResearch chemical sourcingCustom synthesis and catalog availability reviewCOA, SDS, pricing, and fulfillment workflow
Biological target reference

ChEMBL reports experimental activity evidence for: Protein deacetylase HDAC6 (Homo sapiens) — 2 assays; Histone deacetylase 2 (Homo sapiens) — 2 assays; Histone deacetylase 1 (Homo sapiens) — 2 assays; Histone deacetylase 3 (Homo sapiens) — 2 assays; Prostaglandin G/H synthase 1 (Homo sapiens) — 2 assays. These records describe research assays and do not establish therapeutic efficacy or clinical use.

Protein deacetylase HDAC6

Homo sapiens · SINGLE PROTEIN · 2 qualifying assays · 2 documents · best pChEMBL 8.22

Experimental evidence source: ChEMBL

Histone deacetylase 2

Homo sapiens · SINGLE PROTEIN · 2 qualifying assays · 2 documents · best pChEMBL 8.05

Experimental evidence source: ChEMBL

Histone deacetylase 1

Homo sapiens · SINGLE PROTEIN · 2 qualifying assays · 2 documents · best pChEMBL 8

Experimental evidence source: ChEMBL

Histone deacetylase 3

Homo sapiens · SINGLE PROTEIN · 2 qualifying assays · 2 documents · best pChEMBL 8

Experimental evidence source: ChEMBL

Prostaglandin G/H synthase 1

Homo sapiens · SINGLE PROTEIN · 2 qualifying assays · 1 documents · best pChEMBL 5.24

Experimental evidence source: ChEMBL

Safety & Handling

Handling & Storage

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PPE

Respiratory protection if needed

First Aid

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Stability / Reactivity

  • Reactivity and reaction.
  • Carbon monoxide, carbon dioxide, hydrogen chloride, nitrogen oxides.

Disposal

  • The product Remaining solutions and non-recyclable material should be disposed of by a licensed company.
  • Contact a professional organization with a waste disposal license to handle this substance.
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Fire Fighting

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Accidental Release

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Preliminary Safety Reference

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Names & Synonyms / External Identifiers

Chemical Name

Bendamustine

Names & Synonyms

BendamustinaBendamustinum1H-Benzimidazole-2-butanoic acid, 5-(bis(2-chloroethyl)amino)-1-methyl-5-(Bis(2-chloroethyl)amino)-1-methyl-2-benzimidazolebutyric acid4-{5-[bis(2-chloroethyl)amino]-1-methyl-1H-1,3-benzodiazol-2-yl}butanoic acid
Show all synonyms
omega-(1-Methyl-5-bis(beta-chloroethyl)aminobenzimidazole-(2)-butyric acid1H-benzimidazole-2-butanoic acid, 5-[bis(2-chloroethyl)amino]-1-methyl-4-(5-(bis(2-chloroethyl)amino)-1-methylbenzimidazol-2-yl)butanoic acid4-(5-(bis(2-chloroethyl)amino)-1-methyl-1H-1,3-benzodiazol-2-yl)butanoic acid4-(5-(Bis(2-chloroethyl)amino)-1-methyl-1H-benzo[d]imidazol-2-yl)butanoic acidBendamustine [INN]Treanda (TN)SDX 105NIOSH/DD6304600Bendamustine (INN)Bendamustine free baseBendamustinum [Latin]Bendamustina [Spanish]5-(Bis(2-chloroethyl)amino)-1-methyl-1H-benzimidazole-2-butanoic acid
External Identifiers
EC NUMBER: 680-659-4DSSTOX SUBSTANCE ID: DTXSID2046888CHEMBL ID: CHEMBL487253CHEBI ID: CHEBI:135515UNII: 9266D9P3PQDRUGBANK ID: DB06769HMDB ID: HMDB0248945KEGG ID: D07501METABOLOMICS WORKBENCH ID: 149969NCI THESAURUS CODE: C73261RXCUI: 134547WIKIDATA ID: Q425745
Experimental Spectrum References
13C NMR Spectra1D NMR Spectra
Literature & Patent References
DOI 10.1038/s41467-023-40064-9A preclinical secondary pharmacology resource illuminates target-adverse drug reaction associations of marketed drugs.PMID 37468498A preclinical secondary pharmacology resource illuminates target-adverse drug reaction associations of marketed drugs.DOI 10.1016/j.bmcl.2022.128925Design, synthesis, and antitumor study of a series of novel 1-Oxa-4-azaspironenone derivatives.DOI 10.1016/j.ejmech.2022.114375Design, synthesis, and evaluation of a novel series of mono-indolylbenzoquinones derivatives for the potential treatment of breast cancer.PMID 35477142Design, synthesis, and evaluation of a novel series of mono-indolylbenzoquinones derivatives for the potential treatment of breast cancer.PMID 35944852Design, synthesis, and antitumor study of a series of novel 1-Oxa-4-azaspironenone derivatives.DOI 10.1016/j.ejmech.2020.112844Paradigm shift of "classical" HDAC inhibitors to "hybrid" HDAC inhibitors in therapeutic interventions.DOI 10.1016/j.ejmech.2020.112904Comprehensive review for anticancer hybridized multitargeting HDAC inhibitors.

Documentation & Compliance Facts

Compliance Facts

Shipment review: Required

Documentation available by request

Certificate of Analysis (COA): By request

Supplier Safety Data Sheet (SDS): By request

Purity and pack size confirmation: By request

Availability and lead time review: Confirmed by RFQ

Shipment documentation review: By request

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What happens after RFQ

  1. 1We review the CAS identity, quantity, and documentation request.
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  3. 3We review destination and shipment documentation needs when applicable.
  4. 4We follow up with a quotation or clarification request.

Text Reference Cues

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Non-public related references

TinostamustineCAS 1236199-60-2
Ethyl 5-(bis(2-hydroxyethyl)amino)-1-methyl-1H-benzimidazole-2-butanoateCAS 3543-74-6
Ethyl 5-amino-1-methyl-1H-benzimidazole-2-butanoateCAS 3543-73-5
ethyl 4-(1-methyl-5-nitro-1H-1,3-benzodiazol-2-yl)butanoateCAS 3543-72-4
(1-Methyl-1h-benzimidazol-2-yl)methylamineCAS 20028-40-4

Non-public references are shown as text only and do not imply equivalence, availability, or shared use.

Catalog navigation

Related Catalog Entries

Other public CAS pages in this catalog. These links support navigation across additional intermediates and do not imply equivalence, availability, or shared use.

CAS 1236199-60-2TinostamustineCAS 3543-74-6Ethyl 5-(bis(2-hydroxyethyl)amino)-1-methyl-1H-benzimidazole-2-butanoateCAS 3543-73-5Ethyl 5-amino-1-methyl-1H-benzimidazole-2-butanoateCAS 3543-72-4ethyl 4-(1-methyl-5-nitro-1H-1,3-benzodiazol-2-yl)butanoateCAS 128517-07-7RomidepsinCAS 414864-00-9BelinostatCAS 100643-71-8DesloratadineCAS 102767-28-2LevetiracetamCAS 1002310-00-0Tert-butyl 1-(2-chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)ethylcarbamateCAS 1005174-17-3(E)-3-(2-Propyl-6-(trifluoromethyl)pyridin-3-yl)acrylic acid

RFQ questions for CAS 16506-27-7

What are the key identifiers for Bendamustine (CAS 16506-27-7)?

Bendamustine is identified by CAS 16506-27-7, with molecular formula C16H21Cl2N3O2, molecular weight 358.3, InChIKey YTKUWDBFDASYHO-UHFFFAOYSA-N.

Does CAS 16506-27-7 have reported biological target evidence?

ChEMBL contains qualifying experimental assay evidence associated with Protein deacetylase HDAC6, Histone deacetylase 2, Histone deacetylase 1, Histone deacetylase 3, Prostaglandin G/H synthase 1. These records do not establish therapeutic efficacy or clinical use.

Can I request a COA for CAS 16506-27-7?

Yes. Submit an RFQ and specify COA requirements. Lot-specific COA depends on supplier confirmation.

Can I request supplier SDS for Bendamustine?

Yes. Supplier SDS can be requested through the RFQ workflow before handling, storage, shipment, or procurement decisions.

Is CAS 16506-27-7 available for quotation?

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