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HCID 483477Erstellt: 27. Oktober 2026

Brincidofovir

Brincidofovir · Brincidofovir (CMX001) · HDP-CDV · CMX 001 · CS-2275 · HDP-HPMPC · HDP-cidofovir · CMX 001 - Bio-X ?

https://huagongshe.com/de/chemical/483477

Identifikatoren & physikalische Daten

CAS No.	444805-28-1
Summenformel	C27H52N3O7P
Durchschnittliche Molmasse	561,7 g/mol
Monoisotopische Masse	561,35428763 g/mol
SMILES	CCCCCCCCCCCCCCCCOCCCOP(=O)(O)CO[C@H](CO)Cn1ccc(N)nc1=O
InChIKey	WXJFKKQWPMNTIM-VWLOTQADSA-N
PubChem CID	483477
ChEMBL	CHEMBL203321
ChEBI	CHEBI:231032
DTXSID	DTXSID60196190

Chemische & physikalische Eigenschaften

XLogP	4,9
Polarare Oberfläche (TPSA)	144
H-Brücken-Donoren	3
H-Brücken-Akzeptoren	7
Frei drehbare Bindungen	26
Schwere Atome	38
Formalladung	0
Komplexität	721
Arzneimittel	Pharmaceuticals -> Listed in ZINC15
Löslichkeit	Practically insolubleDMSO (Slightly, Sonicated), Ethanol (Slightly, Heated, Sonicated), Methanol (Sli
Human Drugs	Breast FeedingLactationMilk, HumanAnti-Infective AgentsAntiviral AgentsFDA approved drugs -> Active ingredient
Schmelzpunkt	> 177° C (dec.)
Siedepunkt	688.6±65.0 °C(Predicted)
Dichte	1.17±0.1 g/cm3(Predicted)
Lagerbedingungen	Hygroscopic, -20°C Freezer, Under inert atmosphere
Aggregatzustand	Solid
pKa (Säurekonstante)	2.40±0.10(Predicted)
Farbe	White to Off-White
Stabilität	Hygroscopic
InChIKey	WXJFKKQWPMNTIM-VWLOTQADSA-N
SMILES	P(CO[C@H](CO)CN1C(=O)N=C(N)C=C1)(=O)(O)OCCCOCCCCCCCCCCCCCCCC

Sicherheit & Vorschriften

Hepatotoxicity	In preregistration clinical trials of brincidofovir as prevention of cytomegalovirus and adenovirus infection in adults and children after hematopoietic stem cell transplantation (HSCT), serum aminotransferase elevations were more frequent with brincidofovir (22%) than placebo (16%) treatment, the usual rate of hepatic enzyme elevations being high after HSCT. ALT elevations above 5 times the upper limit of normal (ULN) arose in 1.8% vs 1.4% , and one of 269 brincidofovir recipients discontinued therapy because of ALT elevations above 10 times ULN. The ALT and AST elevations arose early as brincidofovir was given only 2 or 3 times, on days 1 and 8 and in some trials day 21 of treatment. In the same trials mild-to-moderate elevations in serum bilirubin arose in 6.5% of those on brincidofovir vs 5.9% of placebo recipients, again reflecting the high rate of bilirubin elevations in patients after HSCT. In small studies in healthy human volunteers abnormalities of liver tests were not observed. Since approval of brincidofovir, there have been no instances of smallpox infection that qualified for its use. However, the emergence of mpox infection shortly after its approval has led to its use for this non-approved indication. Aminotransferase elevations were frequent in the mpox virus infected subjects treated with brincidofovir but were invariably asymptomatic, transient and without symptoms or concurrent bilirubin elevations. Thus, the total clinical experience with use of brincidofovir is limited. While transient serum aminotransferase elevations have been reported with its use, there have been no reports of clinically apparent liver injury linked to brincidofovir therapy.
Effects During Pregnancy and Lactation	◉ Summary of Use during Lactation
Wassergefährdungsklasse (WGK)	WGK 3
Lagerklasse	6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
Gefahrenklasse	Acute Tox. 3 OralCarc. 2Repr. 2Skin Sens. 1

CAS No.

444805-28-1

Summenformel

C27H52N3O7P

Durchschnittliche Molmasse

561,7 g/mol

Monoisotopische Masse

561,35428763 g/mol

SMILES

CCCCCCCCCCCCCCCCOCCCOP(=O)(O)CO[C@H](CO)Cn1ccc(N)nc1=O

InChIKey

WXJFKKQWPMNTIM-VWLOTQADSA-N

PubChem CID

483477

ChEMBL

CHEMBL203321

ChEBI

CHEBI:231032

DTXSID

DTXSID60196190

Chemische & physikalische Eigenschaften

XLogP

4,9

Polarare Oberfläche (TPSA)

144

H-Brücken-Donoren

H-Brücken-Akzeptoren

Frei drehbare Bindungen

Schwere Atome

Formalladung

Komplexität

721

Arzneimittel

Pharmaceuticals -> Listed in ZINC15

Löslichkeit

Practically insolubleDMSO (Slightly, Sonicated), Ethanol (Slightly, Heated, Sonicated), Methanol (Sli

Human Drugs

Breast FeedingLactationMilk, HumanAnti-Infective AgentsAntiviral AgentsFDA approved drugs -> Active ingredient

Schmelzpunkt

> 177° C (dec.)

Siedepunkt

688.6±65.0 °C(Predicted)

Dichte

1.17±0.1 g/cm3(Predicted)

Lagerbedingungen

Hygroscopic, -20°C Freezer, Under inert atmosphere

Aggregatzustand

Solid

pKa (Säurekonstante)

2.40±0.10(Predicted)

Farbe

White to Off-White

Stabilität

Hygroscopic

InChIKey

WXJFKKQWPMNTIM-VWLOTQADSA-N

SMILES

P(CO[C@H](CO)CN1C(=O)N=C(N)C=C1)(=O)(O)OCCCOCCCCCCCCCCCCCCCC

Sicherheit & Vorschriften

Hepatotoxicity

In preregistration clinical trials of brincidofovir as prevention of cytomegalovirus and adenovirus infection in adults and children after hematopoietic stem cell transplantation (HSCT), serum aminotransferase elevations were more frequent with brincidofovir (22%) than placebo (16%) treatment, the usual rate of hepatic enzyme elevations being high after HSCT. ALT elevations above 5 times the upper limit of normal (ULN) arose in 1.8% vs 1.4% , and one of 269 brincidofovir recipients discontinued therapy because of ALT elevations above 10 times ULN. The ALT and AST elevations arose early as brincidofovir was given only 2 or 3 times, on days 1 and 8 and in some trials day 21 of treatment. In the same trials mild-to-moderate elevations in serum bilirubin arose in 6.5% of those on brincidofovir vs 5.9% of placebo recipients, again reflecting the high rate of bilirubin elevations in patients after HSCT. In small studies in healthy human volunteers abnormalities of liver tests were not observed. Since approval of brincidofovir, there have been no instances of smallpox infection that qualified for its use. However, the emergence of mpox infection shortly after its approval has led to its use for this non-approved indication. Aminotransferase elevations were frequent in the mpox virus infected subjects treated with brincidofovir but were invariably asymptomatic, transient and without symptoms or concurrent bilirubin elevations. Thus, the total clinical experience with use of brincidofovir is limited. While transient serum aminotransferase elevations have been reported with its use, there have been no reports of clinically apparent liver injury linked to brincidofovir therapy.

Effects During Pregnancy and Lactation

◉ Summary of Use during Lactation

Wassergefährdungsklasse (WGK)

WGK 3

Lagerklasse

6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects

Gefahrenklasse

Acute Tox. 3 OralCarc. 2Repr. 2Skin Sens. 1