Name: Digoxigenin - 10mM in DMSO , CAS No.1672-46-4
Brand: Aladdin Scientific
SKU: D422070
Availability: InStock

Digoxigenin - 10mM in DMSO , CAS No.1672-46-4

CAS: 1672-46-4 Cat. No.: D422070 分子式: C₂₃H₃₄O₅ 分子量: 390.51 Beilstein Registry Number: 96479 EC番号: 216-806-2

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Digoxigenin - 10mM in DMSO CAS No(1672-46-4) by Aladdin Scientific

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注文可能

グレード＆純度 10mM in DMSO

Synonyms

4-((3S,8R,9S,10S,12R,13S,14S,17R)-3,12,14-trihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)furan-2(5H)-one|Digoxigenin|DIGOXIGENIN [HSDB]|5beta,20(22)-Cardenolide-3beta,12beta,14-triol|Card-20(22)-enolide, 3,12,14-trihydroxy-, (3.beta.,5.beta,12.beta.)-|3.BETA.,12.BETA.,14-TRIHYDROXY-5.BETA.-CARD-20(22)-ENOLIDE|CARDOGENEN-(20:22)-TRIOL-(3-beta,12,14)|DIGOXIGENIN [MI]|Card-20(22)-enolide, 3,12,14-trihydroxy-, (3ss,5ss,12ss)-|DIGOXIN IMPURITY C [EP IMPURITY]|CS337|5-beta-CARD-20(22)-ENOLIDE, 3-beta,12-beta,14-TRIHYDROXY-|Digoxigenine|(3beta,5beta,12beta)-3,12,14-Trihydroxycard-20(22)-enolide|3-beta,12,14-Trioxy-carden-(20:22)-olid [German]|Lanadigenin|3beta,12beta,14-trihydroxy-5beta-card-20(22)-enolide|Cardogenen-(20:22)-triol-(3-beta,12,14) [German]|Lanadigigenin|3beta,12beta,14beta,21-Tetrahydroxy-20(22)-norcholenic acid lactone|Card-20(22)-enolide, 3,12,14-trihydroxy-, (3-beta,5-beta,12-beta)-|Card-20(22)-enolide, 3,12,14-trihydroxy-, (3beta,5beta,12beta)-|delta-sup(20:22)-3-beta,12-beta,14,21-Tetrahydroxynorcholenic acid lactone|3-beta,12,14-Trioxy-carden-(20:22)-olid|3beta,12beta,14-Trihydroxy-5beta,20(22)-cardenolide|4-((3S,5R,8R,9S,10S,12R,13S,14S,17R)-3,12,14-trihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)furan-2(5H)-one|3-beta,12,14-Trioxy-digen-(20:22)-olid [German]|3-[(3S,5R,8R,9S,10S,12R,13S,14S,17R)-3,12,14-trihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

概要仕様名前と識別子詳細データ Taxonomic Classification 3 D構造関連ターゲット（人間）関連ターゲット（非人間）作用メカニズム証明書（CoA、COO、BSE/TSEと分析図）化学的性質と物理的性質ソリューション計算機レビュー

概要

Digoxigenin is a steroid used as a probe in the detection of different viruses.

仕様

同義語

仕様と純度

10mM in DMSO

保管条件

Store at -80°C

入荷

Dry ice packs + Cold packs

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

名前と識別子

パブケム・シド

528771164

カノニカル・スマイル

CC12CCC(CC1CCC3C2CC(C4(C3(CCC4C5=CC(=O)OC5)O)C)O)O

IUPAC Name

3-[(3S,5R,8R,9S,10S,12R,13S,14S,17R)-3,12,14-trihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one

InChIKey

SHIBSTMRCDJXLN-KCZCNTNESA-N

INCHI

1S/C23H34O5/c1-21-7-5-15(24)10-14(21)3-4-17-18(21)11-19(25)22(2)16(6-8-23(17,22)27)13-9-20(26)28-12-13/h9,14-19,24-25,27H,3-8,10-12H2,1-2H3/t14-,15+,16-,17-,18+,19-,21+,22+,23+/m1/s1

異性体SMILES

C[C@]12CC[C@@H](C[C@H]1CC[C@@H]3[C@@H]2C[C@H]([C@]4([C@@]3(CC[C@@H]4C5=CC(=O)OC5)O)C)O)O

WGKドイツ

RTECS

FH5390000

分子量

390.51

Beilstein

96479

Reaxy-Rn

1298841

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1298841&ln=

詳細データ

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Lipids and lipid-like molecules
  - 分類 Steroids and steroid derivatives
    - Subclass Steroid lactones

Kingdom	Organic compounds
Superclass	Lipids and lipid-like molecules
分類	Steroids and steroid derivatives
Subclass	Steroid lactones
Intermediate Tree Nodes	Not available
Direct Parent	Cardenolides and derivatives
Alternative Parents	3-beta-hydroxysteroids 14-hydroxysteroids 12-hydroxysteroids Butenolides Tertiary alcohols Enoate esters Secondary alcohols Lactones Cyclic alcohols and derivatives Polyols Oxacyclic compounds Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aliphatic heteropolycyclic compounds
Substituents	Cardanolide-skeleton - 3-hydroxysteroid - 3-beta-hydroxysteroid - 12-hydroxysteroid - 14-hydroxysteroid - Hydroxysteroid - 2-furanone - Cyclic alcohol - Dihydrofuran - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Tertiary alcohol - Carboxylic acid ester - Secondary alcohol - Lactone - Polyol - Organoheterocyclic compound - Oxacycle - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Alcohol - Hydrocarbon derivative - Organic oxygen compound - Carbonyl group - Organic oxide - Organooxygen compound - Aliphatic heteropolycyclic compound
説明	This compound belongs to the class of organic compounds known as cardenolides and derivatives. These are steroid lactones containing a furan-2-one moiety linked to the C17 atom of a cyclopenta[a]phenanthrene derivative.
External Descriptors	Cardanolides and derivatives
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

3 D構造

関連ターゲット（人間）

SLCO4C1 Tchem Solute carrier organic anion transporter family member 4C1 (1 Activities)

Discover Target: SLCO4C1

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

PTH1R Tclin Parathyroid hormone receptor (47172 Activities)

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

GLP1R Tclin Glucagon-like peptide 1 receptor (111429 Activities)

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

TP53 Tchem Cellular tumor antigen p53 (48468 Activities)

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HT-29 (80576 Activities)

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MCF7 (126967 Activities)

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OVCAR-3 (48710 Activities)

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TK-10 (45540 Activities)

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UACC-62 (47335 Activities)

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HepG2 (196354 Activities)

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MDA-MB-435 (38290 Activities)

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MDA-MB-231 (73002 Activities)

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KDM4A Tchem Lysine-specific demethylase 4A (52245 Activities)

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

TDP1 Tchem Tyrosyl-DNA phosphodiesterase 1 (345557 Activities)

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

SMAD3 Tchem Mothers against decapentaplegic homolog 3 (68039 Activities)

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

NPC1 Tchem Niemann-Pick C1 protein (18985 Activities)

Discover Target: NPC1

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

RAB9A Tbio Ras-related protein Rab-9A (22488 Activities)

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

CBX1 Tbio Chromobox protein homolog 1 (92434 Activities)

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ATAD5 Tbio ATPase family AAA domain-containing protein 5 (122566 Activities)

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

ATXN2 Tbio Ataxin-2 (54410 Activities)

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IDH1 Tclin Isocitrate dehydrogenase [NADP] cytoplasmic (40980 Activities)

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

RAPGEF4 Tchem Rap guanine nucleotide exchange factor 4 (11476 Activities)

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SLCO4C1 Tchem Solute carrier organic anion transporter family member 4C1 (7 Activities)

Discover Target: SLCO4C1

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

PAX8 Tchem Paired box protein Pax-8 (1910 Activities)

Discover Target: PAX8

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

Molarity Calculator

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レビュー

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屈折率	n20D1.61 (Predicted)
沸点（°C）	589.37° C at 760 mmHg (Predicted)
融点（°C）	222° C (lit.)
分子量	390.500 g/mol
XLogP3	1.100
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	1
Exact Mass	390.241 Da
Monoisotopic Mass	390.241 Da
Topological Polar Surface Area	87.000 Å²
Heavy Atom Count	28
Formal Charge	0
Complexity	718.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	9
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

Digoxigenin - 10mM in DMSO , CAS No.1672-46-4

概要

仕様

詳細データ

Molarity Calculator

Dilution Calculator

Reconstitution Calculator

顧客レビュー

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