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D4-abiraterone - 99%, high purity , CAS No.154229-21-7

COA

Grade & Purity:

≥99%

Cas Number: 154229-21-7
Molecular Weight: 347.49
PubChem CID: 196941

In stock

Item Number

D649990

Grouped product items
SKU	Size	Availability	Price
D649990-5mg	5mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$88.90
D649990-10mg	10mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$154.90
D649990-25mg	25mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$341.90

View related series

Androgen Receptor (133) Cytochrome P450 (241) Lipid metabolism (1912) Metabolic Enzyme/Protease (4860) Vitamin D Related/Nuclear Receptor (907)

Basic Description

Synonyms	GYJZZAJJENTSTP-NHFPKVKZSA-N \| .DELTA.4-ABIRATERONE \| Androsta-4,16-dien-3-one, 17-(3-pyridinyl)- \| CAS-2140-46-7 \| BDBM50216168 \| CB 7627 \| UNII-Z2L6XS2R7H \| U7P \| CB7627 \| CB-7627 \| (8alpha)-17-(pyridin-3-yl)androsta-4,16-dien-3-one \| Q30647364 \| 17-(3-P
Specifications & Purity	≥99%
Biochemical and Physiological Mechanisms	D4-abiraterone is a major metabolite of abiraterone. D4-abiraterone is an inhibitor of CYP17A1 , 3b-hydroxysteroid dehydrogenase ( 3βHSD ) and steroid-5a-reductase ( SRD5A ) and also an antagonist of androgen receptor .
Storage Temp	Store at 2-8°C
Shipped In	Wet ice This product requires cold chain shipping. Ground and other economy services are not available.
Product Description	D4-abiraterone is a major metabolite of abiraterone. D4-abiraterone is an inhibitor of CYP17A1 , 3b-hydroxysteroid dehydrogenase ( 3βHSD ) and steroid-5a-reductase ( SRD5A ) and also an antagonist of androgen receptor . In Vitro D4-abiraterone (D4A ) (10 mM) nearly completely blocks conversion from D4-androstenedione (AD) to 5α-androstanedione and other 5α-reduced androgens. The affinity of D4-abiraterone for mutant (expressed in LNCaP, half-maximum inhibitory concentration (IC 50 =5.3 nM)) and wild type (expressed in LAPC4, IC 50 =7.9 nM) androgen receptor (AR) is greater than that of abiraterone (Abi) (IC 50 =418 and >500 nM, respectively). Compare with Abi, D4-abiraterone clearly better suppresses PSA, TMPRSS2 and FKBP5 expression in LNCAP, LAPC4 and C4-2 cell lines. D4-abiraterone also inhibits AR target gene expression in a dose-dependent manner. MCE has not independently confirmed the accuracy of these methods. They are for reference only. In Vivo D4-abiraterone (D4A) is tenfold more potent than abiraterone (Abi) in blocking conversion from dehydroepiandrosterone (DHEA) by 3β-hydroxysteroid dehydrogenase (3βHSD) to D4-androstenedione (AD) in LNCaP and VCaP xenografts. 0.1 μM D4-abiraterone is equivalent to 1 μM Abi for blocking AD accumulation at 48 h in both LNCaP and VCaP xenografts. Progression is significantly delayed in the D4-abiraterone group compare with the Abi acetate group (P=0.011). D4-abiraterone treatment increases progression-free survival compare with Abi acetate . MCE has not independently confirmed the accuracy of these methods. They are for reference only. Form:Solid IC50& Target:CYP17A1, 3βHSD, SRD5A, androgen receptor

Associated Targets(Human)

CYP21A2 Tchem Steroid 21-hydroxylase (1 Activities)

Discover Target: CYP21A2

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

CYP17A1 Tclin Steroid 17-alpha-hydroxylase/17,20 lyase (3 Activities)

Discover Target: CYP17A1

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

CYP21A2 Tchem Cytochrome P450 21 (835 Activities)

Discover Target: CYP21A2

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

CYP17A1 Tclin Cytochrome P450 17A1 (3627 Activities)

Discover Target: CYP17A1

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

HepG2 (196354 Activities)

Explore this target

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

Liver (3974 Activities)

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

Associated Targets(non-human)

rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

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

Srd5a1 Steroid 5-alpha-reductase (312 Activities)

Discover Target: Srd5a1

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

Cyp11b2 Cytochrome P450 11B (409 Activities)

Discover Target: Cyp11b2

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

IUPAC Name	(8R,9S,10R,13S,14S)-10,13-dimethyl-17-pyridin-3-yl-1,2,6,7,8,9,11,12,14,15-decahydrocyclopenta[a]phenanthren-3-one
INCHI	InChI=1S/C24H29NO/c1-23-11-9-18(26)14-17(23)5-6-19-21-8-7-20(16-4-3-13-25-15-16)24(21,2)12-10-22(19)23/h3-4,7,13-15,19,21-22H,5-6,8-12H2,1-2H3/t19-,21-,22-,23-,24+/m0/s1
InChIKey	GYJZZAJJENTSTP-NHFPKVKZSA-N
Smiles	CC12CCC(=O)C=C1CCC3C2CCC4(C3CC=C4C5=CN=CC=C5)C
Isomeric SMILES	C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC=C4C5=CN=CC=C5)C
PubChem CID	196941
Molecular Weight	347.49

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

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

Analytical Chart:

Chemical and Physical Properties

Solubility	DMSO : 50 mg/mL (143.89 mM; Need ultrasonic)
Molecular Weight	347.500 g/mol
XLogP3	4.600
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	347.225 Da
Monoisotopic Mass	347.225 Da
Topological Polar Surface Area	30.000 Å²
Heavy Atom Count	26
Formal Charge	0
Complexity	676.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	5
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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