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N,N′-Dimethyl-3,3′-dithiodipropionamide - 98%, high purity , CAS No.999-72-4

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N,N′-Dimethyl-3,3′-dithiodipropionamide - 98%, high purity , CAS No.999-72-4

COA

Grade & Purity:

≥98%

Cas Number: 999-72-4
Molecular Weight: 236.35
EC Number: 213-665-9}
PubChem CID: 70464
PubChem SID: 504754536

In stock

Item Number

N356853

Grouped product items
SKU	Size	Availability	Price
N356853-100mg	100mg	3	$68.90
N356853-250mg	250mg	3	$137.90
N356853-1g	1g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$414.90

Basic Description

Synonyms	3,3'-Dithiobis(N-methylpropanamide) \| 10D-526 \| 8-Oxo-7-hydrodeoxyguanosine \| W-100003 \| propanamide, 3,3'-dithiobis[n-methyl- \| SCHEMBL6562134 \| ?N,N'-Dimethyl-3,3'-dithiodipropionamide \| MFCD00172796 \| N,N'-Dimethyl-3,3'-dithiodipropionamide \| 3,3'-disu
Specifications & Purity	≥98%
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organic acids and derivatives
  - Class Carboxylic acids and derivatives
    - Subclass Carboxylic acid derivatives
      - Level5 Carboxylic acid amides
        Level6 Secondary carboxylic acid amides

Kingdom	Organic compounds
Superclass	Organic acids and derivatives
Class	Carboxylic acids and derivatives
Subclass	Carboxylic acid derivatives
Intermediate Tree Nodes	Carboxylic acid amides
Direct Parent	Secondary carboxylic acid amides
Alternative Parents	Dialkyldisulfides Sulfenyl compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aliphatic acyclic compounds
Substituents	Dialkyldisulfide - Secondary carboxylic acid amide - Organic disulfide - Sulfenyl compound - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Carbonyl group - Aliphatic acyclic compound
Description	This compound belongs to the class of organic compounds known as secondary carboxylic acid amides. These are compounds containing a secondary carboxylic acid amide functional group, with the general structure RC(=O)N(R')H (R,R'=alkyl, aryl).
External Descriptors	Not available
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

Associated Targets(Human)

PLK1 Tchem Serine/threonine-protein kinase PLK1 (28605 Activities)

Discover Target: PLK1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

POLH Tchem DNA polymerase eta (21678 Activities)

Discover Target: POLH

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

ERG Tbio Transcriptional regulator ERG (5589 Activities)

Discover Target: ERG

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

LMNA Tbio Prelamin-A/C (36751 Activities)

Discover Target: LMNA

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

GMNN Tbio Geminin (128009 Activities)

Discover Target: GMNN

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

CBX1 Tbio Chromobox protein homolog 1 (92434 Activities)

Discover Target: CBX1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Associated Targets(non-human)

TGR Thioredoxin glutathione reductase (28579 Activities)

Discover Target: TGR

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Mechanism of Action	Action Type	target ID	Target Name	Target Type	Target Organism	Binding Site Name	References

Names and Identifiers

Pubchem Sid	504754536
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504754536
IUPAC Name	N-methyl-3-[[3-(methylamino)-3-oxopropyl]disulfanyl]propanamide
INCHI	InChI=1S/C8H16N2O2S2/c1-9-7(11)3-5-13-14-6-4-8(12)10-2/h3-6H2,1-2H3,(H,9,11)(H,10,12)
InChIKey	QUHFFYTTZGTUQQ-UHFFFAOYSA-N
Smiles	CNC(=O)CCSSCCC(=O)NC
Isomeric SMILES	CNC(=O)CCSSCCC(=O)NC
Molecular Weight	236.35
Reaxy-Rn	1911563
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1911563&ln=

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

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3 results found

Lot Number	Certificate Type	Date	Item
B2223823	Certificate of Analysis	Mar 01, 2022	N356853
B2223716	Certificate of Analysis	Mar 01, 2022	N356853
B2223750	Certificate of Analysis	Mar 01, 2022	N356853

Chemical and Physical Properties

Refractive Index	n20D1.54 (Predicted)
Boil Point(°C)	~510.7° C at 760 mmHg (Predicted)
Melt Point(°C)	113-116° C
Molecular Weight	236.400 g/mol
XLogP3	-0.600
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	7
Exact Mass	236.065 Da
Monoisotopic Mass	236.065 Da
Topological Polar Surface Area	109.000 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	168.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

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