Monday, January 23, 2006

UC0045


Used as R1 in UC0042
Name:[(tert-butoxycarbonyl)amino]acetic acid
SMILES: CC(C)(C)OC(=O)NCC(O)=O
Available here:
Available at Aldrich
Image 1H NMR obtained 2006-8-4
Image C-13 NMR (300MHz Varian Inova)
JCAMP 1H NMR (300MHz in CD3OD) 2006-01-13
JCAMPC13 NMR (300MHz in CD3OD) 2006-01-13
JCAMP 1H NMR (300MHz in Acetone-D6)
JCAMP C13 NMR (300MHz in Acetone- D6)
JCAMP 1H NMR (300MHz in CDCl3) 2006-12-19
JCAMP C13 NMR (300MHz in CDCl3) 2006-12-19

Sunday, January 22, 2006

UC0044



Used as R3 for UC0042
Name: 4-oxobutanoic acid
SMILES: O=CCCC(O)=O
Availability: SIGMA as Succinic semialdehyde solution, CAS 692-29-5. Aldrich
This requires a protecting group on the acid. Carbonate is suggested not yet found
available. Aldrich

UC0043

Used as R2 group for UC0042
SMILES:Oc1ccc(cc1OC)CN
Name: 4-(aminomethyl)-2-methoxyphenol
Availability:ALDRICH as 4-Hydroxy-3-methoxybenzylamine hydrochloride, CAS 7149-10-2, Quantity : 1 G, Price: 13.40 for 1g in a btl.
Aldrich

UC0042

Malaria37-#13 Diketopiperazine
SMILES: OC(=O)CCC2C(=O)NCC(=O)N2Cc1cc(OC)c(O)cc1
Name:
3-[1-(4-hydroxy-3-methoxybenzyl)-3,6-dioxopiperazin-2-yl]propanoic acid

Friday, January 20, 2006

UC0041

R2 Amine for UC0040
Name:4-aminobutanoic acid
SMILES: NCCCC(O)=O

UC0040

Malaria37-#11 Diketopiperazine
SMILES:Oc1ccc(cc1O)CC2C(=O)NC(CCSC)C(=O)N2CCCC(O)=O

Friday, January 13, 2006

UC0039

Name: 2-[(tert-butoxycarbonyl)amino]pentanoic acid

SMILES: CC(C)(C)OC(=O)NC(CCC)C(O)=O

Used as aminoacid for UC0038

UC0038

#9 Diketopiperazine
SMILES: O=C(C)CN1C(C(=O)NC(CCC)C1=O)C(O)c2ccc(O)c(O)c2

UC0037

Name: 5-aminopentanal

SMILES: NCCCCC=O

Used as R3 for UC0036

NH2 group will have to be protected by boc group not shown.

UC0036

#8 Diketopiperazine
SMILES: Oc1ccc(cc1O)CN2C(=O)C(NC(=O)C2CCCCN)Cc3cccs3

UC0035

Name: 4-aminobutanal

SMILES: NCCCC=O

Used as R3 aldehyde in UC0016

Protected form (with BOC) is unavailable. Only the unprotected form is available (shown above).

UC0034


Name: 2-[(tert-butoxycarbonyl)amino]butanoic acid

SMILES: CC(C)(C)OC(=O)NC(CC)C(O)=O

Amino acid used for UC0033

UC0033


#7 Diketopiperazine
Name:
6-(3,4-dihydroxybenzyl)-3-ethyl-1-[(5-methyl-2-furyl)methyl]piperazine-2,5-dione
SMILES: Oc1ccc(cc1O)CC3N(Cc2ccc(C)o2)C(=O)C(CC)NC3=O

Wednesday, January 11, 2006

UC0032

Name: 1-pyridin-2-ylmethanamine, Pyridine, 2-(aminomethyl)-; 2-Pyridinemethylamine; 2-Picolylamine; 2-Pyridinemethanamine; 2-(Aminomethyl)pyridine; beta-Picolylamine; 2-Picolinamine

SMILES:NCc1ccccn1

Used as R2 to make UC0015

UC0031

Name: 2-[(tert-butoxycarbonyl)amino]-4-methylpentanoic acid
SMILES: CC(C)(C)OC(=O)NC(CC(C)C)C(O)=O
Used as R1 to make UC0015

UC0030


Name:5-(methylamino)pentanal
SMILES:CNCCCCC=O
Used as R3 to make UC0013

UC0029

Name: 2-[(tert-butoxycarbonyl)amino]-3-(4-iodophenyl)propanoic acid
SMILES: Ic1ccc(CC(NC(=O)OC(C)(C)C)C(O)=O)cc1CAS: 62129-44-6
Molecular Formula: (CH3)3COCONHCH(COOH)CH2C6H4I
Molecular Weight: 391.20 g/mol
Sigma-Aldrich
Used as R1 amino acid in UC0013

UC0028

Name: 1-aminoacetone

SMILES:CC(=O)CN

Used as R2 to make UC0001

Tuesday, January 10, 2006

UC0027


Name: 2-[(tert-butoxycarbonyl)amino]-3-(3-hydroxyphenyl)propanoic acid
SMILES: Oc1cc(CC(NC(=O)OC(C)(C)C)C(O)=O)ccc1
Commercial: TCI
Used to make UC0024

UC0026



Name: tert-butyl (3-oxopropyl)carbamate
SMILES: CC(C)(C)OC(=O)NCCC=O

Used to make UC0024

UC0025



SMILES: NCc1ccc(O)cc1
Name: 4-(Aminomethyl)phenol

Commercial: Apollo

Used to make UC0024

UC0024










Malaria 37-024
Name: 6-(2-aminoethyl)-3-(3-hydroxybenzyl)-1-(4-hydroxybenzyl)piperazine-2,5-dione
SMILES: N1([CH](C(N[CH](C1=O)Cc1cc(ccc1)O)=O)CCN)Cc1ccc(cc1)O
Sigma-Aldrich: none found
Querychem: none found