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| CAS No.: | 9076-44-2 |
|---|---|
| Name: | Chymostatin |
| Molecular Structure: | |
 |
|
| Formula: | C92H121N21O18 |
| Molecular Weight: | 607.7005 |
| Synonyms: | (2S)-2-[[(1S)-1-(2-Amino-3,4,5,6-tetrahydropyrimidin-4-yl)-2-[[(2S)-4-methyl-1-oxo-1-[[(2S)-1-oxo-3-phenylpropan-2-yl]amino]pentan-2-yl]amino]-2-oxoethyl]carbamoylamino]-3-phenylpropanoic acid |
| EINECS: | 618-642-0 |
| Density: | 1.34 g/cm3 |
| Melting Point: | 276-278℃ |
| Boiling Point: | °Cat760mmHg |
| Flash Point: | °C |
| Solubility: | DMSO: 10 mM Stock solutions stable for months at ?20 °C. |
| Appearance: | White to yellowish powder |
| Hazard Symbols: | Xi |
| Risk Codes: | 36/37/38 |
| Safety: | 22-24/25 |
| PSA: | 201.61000 |
| LogP: | 2.62450 |
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Chemistry
IUPAC Name: (2S)-2-[[(1S)-1-(2-Amino-1,4,5,6-tetrahydropyrimidin-6-yl)-2-[[(2S)-4-methyl-1-oxo-1-[[(2S)-1-oxo-3-phenylpropan-2-yl]amino]pentan-2-yl]amino]-2-oxoethyl]carbamoylamino]-3-phenylpropanoic acid
CAS: 9076-44-2
The Molecular formula of (2S)-2-[[(1S)-1-(2-Amino-1,4,5,6-tetrahydropyrimidin-6-yl)-2-[[(2S)-4-methyl-1-oxo-1-[[(2S)-1-oxo-3-phenylpropan-2-yl]amino]pentan-2-yl]amino]-2-oxoethyl]carbamoylamino]-3-phenylpropanoic acid (CAS NO.9076-44-2): C31H41N7O6
The Molecular Weight of (2S)-2-[[(1S)-1-(2-amino-1,4,5,6-tetrahydropyrimidin-6-yl)-2-[[(2S)-4-methyl-1-oxo-1-[[(2S)-1-oxo-3-phenylpropan-2-yl]amino]pentan-2-yl]amino]-2-oxoethyl]carbamoylamino]-3-phenylpropanoic acid (CAS NO.9076-44-2): 607.70
Molecular Structure of (2S)-2-[[(1S)-1-(2-Amino-1,4,5,6-tetrahydropyrimidin-6-yl)-2-[[(2S)-4-methyl-1-oxo-1-[[(2S)-1-oxo-3-phenylpropan-2-yl]amino]pentan-2-yl]amino]-2-oxoethyl]carbamoylamino]-3-phenylpropanoic acid (CAS NO.9076-44-2):
Density: 1.34 g/cm3
Index of Refraction: 1.639
Molar Refractivity: 162.75 cm3
Molar Volume: 451.9 cm3
Polarizability: 64.52×10-24cm3
Surface Tension: 55.1 dyne/cm
Safety Profile
Safety Information about (2S)-2-[[(1S)-1-(2-Amino-1,4,5,6-tetrahydropyrimidin-6-yl)-2-[[(2S)-4-methyl-1-oxo-1-[[(2S)-1-oxo-3-phenylpropan-2-yl]amino]pentan-2-yl]amino]-2-oxoethyl]carbamoylamino]-3-phenylpropanoic acid (CAS NO.9076-44-2):
Hazard Codes:
Xi: 
Risk Statements about (2S)-2-[[(1S)-1-(2-Amino-1,4,5,6-tetrahydropyrimidin-6-yl)-2-[[(2S)-4-methyl-1-oxo-1-[[(2S)-1-oxo-3-phenylpropan-2-yl]amino]pentan-2-yl]amino]-2-oxoethyl]carbamoylamino]-3-phenylpropanoic acid (CAS NO.9076-44-2):
R36/37/38: Irritating to eyes, respiratory system and skin.
Safety Statements about (2S)-2-[[(1S)-1-(2-Amino-1,4,5,6-tetrahydropyrimidin-6-yl)-2-[[(2S)-4-methyl-1-oxo-1-[[(2S)-1-oxo-3-phenylpropan-2-yl]amino]pentan-2-yl]amino]-2-oxoethyl]carbamoylamino]-3-phenylpropanoic acid (CAS NO.9076-44-2):
S22: Do not breathe dust.
S24/25: Avoid contact with skin and eyes.
S36: Wear suitable protective clothing.
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
F10: Keep under argon.
F21: Sensitive to humidity.
WGK Germany: 3
RTECS: GC3047700
Specification
The chemical synonyms of (2S)-2-[[(1S)-1-(2-Amino-1,4,5,6-tetrahydropyrimidin-6-yl)-2-[[(2S)-4-methyl-1-oxo-1-[[(2S)-1-oxo-3-phenylpropan-2-yl]amino]pentan-2-yl]amino]-2-oxoethyl]carbamoylamino]-3-phenylpropanoic acid (CAS NO.9076-44-2) are (S)-1-Carboxy-2-phenylethyl]-carbamoyl-alpha-[2-amidohexahydro-4(s)-pyrimidyl]-(s)-glycyl-[a = leu ; b = val ; Or c = ile]-phenylalaninal ; (S)-1-Carboxy-2-phenylethyl)-carbamoyl-alpha-[2-iminohexahydro-4(s)-pyrimidyl]-(s)-glycyl-x-phenylalaninal ; [(S)-1-Carboxy-2-phenylethyl]-carbamoyl-alpha-[2-iminohexahydro-4(s)-pyrimidyl]-(s)-gly-x-phe-al ; N-[-N-Alpha-carbonyl-cpd-x-phe-al]-phE ; Chymostatin ; N-(Nα-Carbonyl-Cpd-X-Phe-al)-Phe (Cpd = capreomycidine) (capreomycidine = [S,S]-α-(2-Iminohexahydro-4-pyrimidyl)glycine) ; Chymostatin, mixture of components A ; Chymostatin, mixture of componentsa, bandc .This product shoud be storaged at −20°C.