Phenylacetic acid mustard

Modify Date: 2025-08-23 09:51:17

Phenylacetic acid mustard structure	Common Name	Phenylacetic acid mustard
	CAS Number	10477-72-2	Molecular Weight	276.15900
	Density	N/A	Boiling Point	195.5ºC at 760 mmHg
	Molecular Formula	C₁₂H₁₅Cl₂NO₂	Melting Point	N/A
	MSDS	N/A	Flash Point	89.6ºC

Use of Phenylacetic acid mustard

Phenylacetic acid mustard is the major metabolite of the cancer chemotherapeutic agent Chlorambucil (HY-13593). Chlorambucil is an alkylating agent with antitumor activity[1].

Name	2-[4-[bis(2-chloroethyl)amino]phenyl]acetic acid
Synonym	More Synonyms

Description	Phenylacetic acid mustard is the major metabolite of the cancer chemotherapeutic agent Chlorambucil (HY-13593). Chlorambucil is an alkylating agent with antitumor activity[1].
Related Catalog	Research Areas >> Cancer Signaling Pathways >> Cell Cycle/DNA Damage >> DNA Alkylator/Crosslinker
Target	IC50: metabolite of Chlorambucil[1]
In Vivo	Phenylacetic acid mustard (intraperitoneal injection; 0-20 mg/kg; 15 days) shows consistently 1.8-1.9 times greater antitumour potency thanCHL, it exhibits an ED15 value of 8.0 mg/kg[2]. Phenylacetic acid mustard (intraperitoneal injection; 0-20 mg/kg; single dose) cause 50% lethality at the dose 15.9 mg/kg[2]. Animal Model: Inbred male C3H/He mice[1] Dosage: 0 mg/kg; 5 mg/kg; 10 mg/kg; 20 mg/kg Administration: Intraperitoneal injection; 15 days Result: Exhibited anti-tumor activities in vivo.
References	[1]. Toni Pettersson-Fernholm, et al. Reactions of 4-bis(2-chloroethyl)aminophenylacetic acid (phenylacetic acid mustard) in physiological solutions. [2]. F Y Lee, et al. Pharmacokinetic basis for the comparative antitumour activity and toxicity of chlorambucil, phenylacetic acid mustard and, -difluorochlorambucil (CB 7103) in mice.

Boiling Point	195.5ºC at 760 mmHg
Molecular Formula	C₁₂H₁₅Cl₂NO₂
Molecular Weight	276.15900
Flash Point	89.6ºC
Exact Mass	275.04800
PSA	40.54000
LogP	2.59770
Vapour Pressure	0.418mmHg at 25°C

CHEMICAL IDENTIFICATION

RTECS NUMBER :: AF5456000

CHEMICAL NAME :: Acetic acid, 2-(p-(bis(2-chloroethyl)amino)phenyl)-

CAS REGISTRY NUMBER :: 10477-72-2

BEILSTEIN REFERENCE NO. :: 0960062

LAST UPDATED :: 199612

DATA ITEMS CITED :: 11

MOLECULAR FORMULA :: C12-H15-Cl2-N-O2

MOLECULAR WEIGHT :: 276.18

WISWESSER LINE NOTATION :: QV1R DN2G2G

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: LDLo - Lowest published lethal dose

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 15 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 15900 ug/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Oral

DOSE :: 10 mg/kg

SEX/DURATION :: female 14 day(s) pre-mating

TOXIC EFFECTS :: Reproductive - Maternal Effects - ovaries, fallopian tubes Reproductive - Maternal Effects - ovaries, fallopian tubes

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Subcutaneous

DOSE :: 8 mg/kg

SEX/DURATION :: male 14 day(s) pre-mating

TOXIC EFFECTS :: Reproductive - Paternal Effects - prostate, seminal vesicle, Cowper's gland, accessory glands

TYPE OF TEST :: Sex chromosome loss and nondisjunction

TYPE OF TEST :: Sex chromosome loss and nondisjunction

MUTATION DATA

TYPE OF TEST :: DNA damage

TEST SYSTEM :: Rodent - hamster Fibroblast

DOSE/DURATION :: 1500 umol/L

REFERENCE :: BEXBAN Bulletin of Experimental Biology and Medicine (English Translation). Translation of BEBMAE. (Plenum Pub. Corp., 233 Spring St., New York, NY 10013) V.41- 1956- Volume(issue)/page/year: 92,943,1981

HS Code	2922499990

Benzeneacetic a...

CAS#:29704-38-9

Phenylacetic ac...

CAS#:10477-72-2

Literature: Dowell, Robert I.; Springer, Caroline J.; Davies, David H.; Hadley, Elizabeth M.; Burke, Philip J.; Boyle, F. Thomas; Melton, Roger G.; Connors, Thomas A.; Blakey, David C.; Mauger, Anthony B. Journal of Medicinal Chemistry, 1996 , vol. 39, # 5 p. 1100 - 1105

tert-Butyl (4-a...

CAS#:174579-31-8

Phenylacetic ac...

CAS#:10477-72-2

(4-Aminophenyl)...

CAS#:1197-55-3

Phenylacetic ac...

CAS#:10477-72-2

Literature: Hovinen, Jari Acta Chemica Scandinavica, 1996 , vol. 50, # 12 p. 1174 - 1176

Ethyl p-aminoph...

CAS#:5438-70-0

Phenylacetic ac...

CAS#:10477-72-2

Literature: Everett et al. Journal of the Chemical Society, 1953 , p. 2386,2387

4-phenylacetic ...

CAS#:30716-00-8

Formaldehyde

CAS#:50-00-0

2-[4-(2-chloroe...

CAS#:25603-51-4

Phenylacetic ac...

CAS#:10477-72-2

Literature: Degutene, A.; Dzhyuvene, D.; Shukyalene, D.; Degutis, Yu. Journal of Organic Chemistry USSR (English Translation), 1986 , vol. 22, # 10 p. 1968 - 1972 Zhurnal Organicheskoi Khimii, 1986 , vol. 22, # 10 p. 2191 - 2197

Precursor 4
CAS#:29704-38-9 Benzeneacetic a... CAS#:174579-31-8 tert-Butyl (4-a... CAS#:1197-55-3 (4-Aminophenyl)... CAS#:5438-70-0 Ethyl p-aminoph...
DownStream 3
CAS#:24199-63-1 Pregn-5-en-20-o... CAS#:24141-90-0 Androst-5-en-17... CAS#:3546-10-9 Cholest-5-en-3-...

HS Code	2922499990
Summary	HS:2922499990 other amino-acids, other than those containing more than one kind of oxygen function, and their esters; salts thereof VAT:17.0% Tax rebate rate:9.0% Supervision conditions:AB(certificate of inspection for goods inward,certificate of inspection for goods outward) MFN tariff:6.5% General tariff:30.0%

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Product Name: Phenylacetic acid mustard
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China
Product Name: Phenylacetic acid mustard
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Purity: 98.0%
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