Motexafin gadolinium information

Motexafin gadolinium
Clinical data
ATC code	none;
Identifiers
CAS Number	156436-89-4 ;
PubChem CID	158385;
ChemSpider	139341 ;
UNII	6433A42F4F;
KEGG	D05080 ;
ChEBI	CHEBI:50161 ;
CompTox Dashboard (EPA)	DTXSID4037083 ;
Chemical and physical data
Formula	C52H72GdN5O14
Molar mass	1148.42 g·mol−1
3D model (JSmol)	Interactive image;
	SMILES CCC1=C(C2=CC3=NC(=CN=C4C=C(C(=CC4=NC=C5C(=C(C(=N5)C=C1[N-]2)CCCO)C)OCCOCCOCCOC)OCCOCCOCCOC)C(=C3CCCO)C)CC.CC(=O)[O-].CC(=O)[O-].[Gd+3];
	InChI InChI=1S/C48H66N5O10.2C2H4O2.Gd/c1-7-35-36(8-2)40-28-42-38(12-10-14-55)34(4)46(53-42)32-50-44-30-48(63-26-24-61-22-20-59-18-16-57-6)47(62-25-23-60-21-19-58-17-15-56-5)29-43(44)49-31-45-33(3)37(11-9-13-54)41(52-45)27-39(35)51-40;21-2(3)4;/h27-32,54-55H,7-26H2,1-6H3;21H3,(H,3,4);/q-1;;;+3/p-2/b39-27-,40-28-,41-27-,42-28-,45-31-,46-32-,49-31+,49-43+,50-32+,50-44+;;; ; Key:VAZLWPAHMORDGR-WRIGXHCHSA-L ;
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Motexafin gadolinium (proposed tradename Xcytrin) is an inhibitor of thioredoxin reductase and ribonucleotide reductase. It has been proposed as a possible chemotherapeutic agent in the treatment of brain metastases.^[1]

^ Richards G, Mehta M (2007). "Motexafin gadolinium in the treatment of brain metastases". Expert Opinion on Pharmacotherapy. 8 (3): 351–9. doi:10.1517/14656566.8.3.351. PMID 17266469. S2CID 25542776.

[1] Richards G, Mehta M (2007). "Motexafin gadolinium in the treatment of brain metastases". Expert Opinion on Pharmacotherapy. 8 (3): 351–9. doi:10.1517/14656566.8.3.351. PMID 17266469. S2CID 25542776.

Motexafin gadolinium information

and 9 Related for: Motexafin gadolinium information

Motexafin gadolinium

Ribonucleotide reductase inhibitor

Ribonucleotide reductase

Texaphyrin

Reactive oxygen species

Photodynamic therapy

Neutron capture therapy of cancer

Thioredoxin reductase

Index of oncology articles

Clinical data

ATC code	none
Identifiers
CAS Number	156436-89-4^Y
PubChem CID	158385
ChemSpider	139341^Y
UNII	6433A42F4F
KEGG	D05080^Y
ChEBI	CHEBI:50161^Y
CompTox Dashboard (EPA)	DTXSID4037083
Chemical and physical data
Formula	C₅₂H₇₂GdN₅O₁₄
Molar mass	1148.42 g·mol⁻¹
3D model (JSmol)	Interactive image
SMILES CCC1=C(C2=CC3=NC(=CN=C4C=C(C(=CC4=NC=C5C(=C(C(=N5)C=C1[N-]2)CCCO)C)OCCOCCOCCOC)OCCOCCOCCOC)C(=C3CCCO)C)CC.CC(=O)[O-].CC(=O)[O-].[Gd+3]
InChI InChI=1S/C48H66N5O10.2C2H4O2.Gd/c1-7-35-36(8-2)40-28-42-38(12-10-14-55)34(4)46(53-42)32-50-44-30-48(63-26-24-61-22-20-59-18-16-57-6)47(62-25-23-60-21-19-58-17-15-56-5)29-43(44)49-31-45-33(3)37(11-9-13-54)41(52-45)27-39(35)51-40;21-2(3)4;/h27-32,54-55H,7-26H2,1-6H3;21H3,(H,3,4);/q-1;;;+3/p-2/b39-27-,40-28-,41-27-,42-28-,45-31-,46-32-,49-31+,49-43+,50-32+,50-44+;;;^Y Key:VAZLWPAHMORDGR-WRIGXHCHSA-L^Y
(verify)