Phenylacetic acid mustard
Modify Date: 2026-07-04 22:37:46
Phenylacetic acid mustard structure
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Common Name | Phenylacetic acid mustard | ||
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| 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 mustardPhenylacetic 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 |
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| 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]. |
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| Related Catalog | |
| 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 |
| 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
HEALTH HAZARD DATAACUTE TOXICITY DATA
MUTATION DATA
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| HS Code | 2922499990 |
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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 |
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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 |
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Phenylacetic ac... CAS#:10477-72-2 |
| Literature: Hovinen, Jari Acta Chemica Scandinavica, 1996 , vol. 50, # 12 p. 1174 - 1176 |
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Phenylacetic ac... CAS#:10477-72-2 |
| Literature: Everett et al. Journal of the Chemical Society, 1953 , p. 2386,2387 |
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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 |
![2-[4-(2-chloroethylamino)phenyl]acetic acid structure](https://image.chemsrc.com/caspic/226/25603-51-4.png)
![Pregn-5-en-20-one,3-[[[4-[bis(2-chloroethyl)amino]phenyl]acetyl]oxy]-, (3b)- (9CI) structure](https://image.chemsrc.com/caspic/259/24199-63-1.png)
CAS#:24199-63-1![Androst-5-en-17-one,3-[[2-[4-[bis(2-chloroethyl)amino]phenyl]acetyl]oxy]-, (3b) structure](https://image.chemsrc.com/caspic/431/24141-90-0.png)
CAS#:24141-90-0![Cholest-5-en-3-ol (3b)-,3-[4-[bis(2-chloroethyl)amino]benzeneacetate] structure](https://image.chemsrc.com/caspic/236/3546-10-9.png)
CAS#:3546-10-9| HS Code | 2922499990 |
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| 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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Name: Acute toxicity in ip dosed BALB/c mouse after 30 days
Source: ChEMBL
Target: Mus musculus
External Id: CHEMBL966706
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Name: Increase in median life span in BDF1 mouse L1210 cells at 5 mg/kg/day, ip relative to...
Source: ChEMBL
Target: L1210
External Id: CHEMBL967576
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Name: Antitumor activity against mouse P388 cells allografted in mouse assessed as dose req...
Source: ChEMBL
Target: P388
External Id: CHEMBL3256986
|
|
Name: Inhibitory concentration was evaluated against colorectal tumar cell line LoVo
Source: ChEMBL
Target: LoVo
External Id: CHEMBL709037
|
|
Name: Antitumor activity against mouse L1210 cells assessed as dose required to produce T/C...
Source: ChEMBL
Target: L1210
External Id: CHEMBL3256985
|
|
Name: Antitumor activity in BDF1 mouse L1210 cells assessed as number of cured mouse at 5 m...
Source: ChEMBL
Target: L1210
External Id: CHEMBL967590
|
|
Name: Antitumor activity against mouse P388 cells allografted in mouse assessed as dose req...
Source: ChEMBL
Target: P388
External Id: CHEMBL3256989
|
|
Name: Antitumor activity in BDF1 mouse bearing P388 cells assessed as number of cured mouse...
Source: ChEMBL
Target: P388
External Id: CHEMBL967584
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|
Name: Antitumor activity in BDF1 mouse bearing P388 cells assessed as mean survival days at...
Source: ChEMBL
Target: P388
External Id: CHEMBL966710
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Name: Cell-based high throughput primary assay to identify activators of GPR151
Source: The Scripps Research Institute Molecular Screening Center
Target: RecName: Full=G-protein coupled receptor 151; AltName: Full=G-protein coupled receptor PGR7; AltName: Full=GPCR-2037; AltName: Full=Galanin receptor 4; AltName: Full=Galanin-receptor-like protein; Short=GalRL
External Id: GPR151_PHUNTER_AG_LUMI_1536_1X%ACT
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| PAAM |
| Chlorphenacyl |
| Phenylacetic acid mustard |
| Khlorfenatsil |
| Chlorphenacil |
| Phenacid |
| Phenylacetic mustard |