40454-21-5

40454-21-5 structure
40454-21-5 structure
  • Name: IQB-782
  • Chemical Name: (2R)-2-(diaminomethylideneamino)-3-sulfanylpropanoic acid
  • CAS Number: 40454-21-5
  • Molecular Formula: C4H9N3O2S
  • Molecular Weight: 163.19800
  • Catalog: Research Areas Cardiovascular Disease
  • Create Date: 2018-06-26 13:30:59
  • Modify Date: 2025-08-27 16:58:18
  • IQB-782 is a cysteine derivative. IQB-782 has inhibition for thrombin activatable fibrinolysis inhibitor (TAFI), with an Ki(app) of 0.14 μM. IQB-782 shows a potent mucolytic-expectorant activity[1][2].

Name (2R)-2-(diaminomethylideneamino)-3-sulfanylpropanoic acid
Synonyms IQB-782
N-amidino-L-cysteine
CYSTEINE,N-AMIDINO-,L
L-Cysteine,N-(aminoiminomethyl)
N-Amidinocysteine
EINECS 254-925-1
N-Guanyl-cysteine
Description IQB-782 is a cysteine derivative. IQB-782 has inhibition for thrombin activatable fibrinolysis inhibitor (TAFI), with an Ki(app) of 0.14 μM. IQB-782 shows a potent mucolytic-expectorant activity[1][2].
Related Catalog
Target

Ki (app): 0.14 μM (TAFI)[1]

In Vitro IQB-782 inhibits TAFI related carboxypeptidases with IC50s of 49 μM and 12 μM for CPN and CPB, respectively[1].
References

[1]. Do YH, et al. Inhibition of thrombin activatable fibrinolysis inhibitor by cysteine derivatives. Thromb Res. 2005;116(3):265-71.

[2]. Moratalla R, et al. Pharmacological study of the new mucolytic drug N-guanyl-cysteine. Arzneimittelforschung. 1986 Jun;36(6):918-23.

Density 1.66g/cm3
Boiling Point 348.5ºC at 760mmHg
Molecular Formula C4H9N3O2S
Molecular Weight 163.19800
Flash Point 164.5ºC
Exact Mass 163.04200
PSA 138.00000
LogP 0.04340
Index of Refraction 1.673

CHEMICAL IDENTIFICATION

RTECS NUMBER :
HA1680000
CHEMICAL NAME :
Cysteine, N-amidino-, L-
CAS REGISTRY NUMBER :
40454-21-5
LAST UPDATED :
199612
DATA ITEMS CITED :
5
MOLECULAR FORMULA :
C4-H9-N3-O2-S
MOLECULAR WEIGHT :
163.22
WISWESSER LINE NOTATION :
ZYM&MYVQ1SH

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
>6 gm/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
ARZNAD Arzneimittel-Forschung. Drug Research. (Editio Cantor Verlag, Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.) V.1- 1951- Volume(issue)/page/year: 36,918,1986
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
2250 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
ARZNAD Arzneimittel-Forschung. Drug Research. (Editio Cantor Verlag, Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.) V.1- 1951- Volume(issue)/page/year: 36,918,1986
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
>6 gm/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
ARZNAD Arzneimittel-Forschung. Drug Research. (Editio Cantor Verlag, Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.) V.1- 1951- Volume(issue)/page/year: 36,918,1986
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
3600 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
ARZNAD Arzneimittel-Forschung. Drug Research. (Editio Cantor Verlag, Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.) V.1- 1951- Volume(issue)/page/year: 36,918,1986
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
685 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
ARZNAD Arzneimittel-Forschung. Drug Research. (Editio Cantor Verlag, Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.) V.1- 1951- Volume(issue)/page/year: 36,918,1986
Hazard Codes Xi
HS Code 2930909090
HS Code 2930909090
Summary 2930909090. other organo-sulphur compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%
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