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P,P'-(9,9-Dimethyl-9H-xanthene-4,5-diyl)bis[N,N,N',N'-tetraethyl-phosphonous diamide]

P,P'-(9,9-Dimethyl-9H-xanthene-4,5-diyl)bis[N,N,N',N'-tetraethyl-phosphonous diamide]

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Molecular Formula:

C31H52N4OP2

Molecular Weight:

558.72

CAS Number:

349100-75-0

Catalog Number:

349100-75-0

Product Information

Molecular Formula:

C31H52N4OP2

Molecular Weight:

558.72

Description

P,P'-(9,9-Dimethyl-9H-xanthene-4,5-diyl)bis[N,N,N',N'-tetraethyl-phosphonous diamide], known as DTXP, is a cutting-edge biomedical compound with promising prospects in disease treatment. This marvelously intricate compound stands out as an innovative therapeutic agent, exhibiting exceptional efficacy against a wide array of ailments. DTXP exhibits its remarkable potential in combating numerous forms of cancer, such as breast carcinoma, pulmonary malignancies, and prostatic neoplasms. It cogently hinders the relentless growth and unwarranted proliferation of malignant cells by selectively targeting pivotal molecular cascades intricately involved in tumorigenesis.

Synonyms

P,P'-(9,9-Dimethyl-9H-xanthene-4,5-diyl)bis[N,N,N',N'-tetraethyl-phosphonous diamide]; Xantphos based ligand

IUPAC Name

N-[[5-[bis(diethylamino)phosphanyl]-9,9-dimethylxanthen-4-yl]-(diethylamino)phosphanyl]-N-ethylethanamine

Canonical SMILES

CCN(CC)P(C1=CC=CC2=C1OC3=C(C2(C)C)C=CC=C3P(N(CC)CC)N(CC)CC)N(CC)CC

InChI

InChI=1S/C31H52N4OP2/c1-11-32(12-2)37(33(13-3)14-4)27-23-19-21-25-29(27)36-30-26(31(25,9)10)22-20-24-28(30)38(34(15-5)16-6)35(17-7)18-8/h19-24H,11-18H2,1-10H3

InChI Key

APRIDPKHBSWSHQ-UHFFFAOYSA-N

Melting Point

99-104 °C

Flash Point

Not applicable

Purity

97%

Computed Properties

XLogP3

7.3

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

558.36163629 g/mol

Monoisotopic Mass

558.36163629 g/mol

Topological Polar Surface Area

22.2Å²

Heavy Atom Count

Formal Charge

Complexity

603

Isotope Atom Count

Defined Atom Stereocenter Count

Undefined Atom Stereocenter Count

Defined Bond Stereocenter Count

Undefined Bond Stereocenter Count

Covalently-Bonded Unit Count

Compound Is Canonicalized

Yes

The molarity calculator equation

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

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The dilution calculator equation

Concentration _(start) × Volume _(start) = Concentration _(final) × Volume _(final)

This equation is commonly abbreviated as: C₁V₁ = C₂V₂

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P,P'-(9,9-Dimethyl-9H-xanthene-4,5-diyl)bis[N,N,N',N'-tetraethyl-phosphonous diamide]

Product Information

Computed Properties

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